5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin

Basic Information

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CAS Number

95051-10-8

Molecular Formula

C45H30N4O2

Molecular Weight

658.76 g/mol

Basic Physical Properties

Density

1.309

Refractive Index

1.707

SMILES

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C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C45H30N4O2/c50-45(51)32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H,(H,50,51)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

InChIKey

GZTMFXHPFNRUNU-LWQDQPMZSA-N

LogP

11.02179999999999

Topological Polar Surface Area

94.66 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

1140

Synonyms & References

English

Benzoic acid,4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-
4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-Benzoic acid
5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin
4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid
5-mono(4-carboxyphenyl)-10,15,20-triphenyl porphyrin
5-(4-Carboxyphenyl)-10,15,20-triphenyl-21H,23H-porphine
GZTMFXHPFNRUNU-UHFFFAOYSA-N
C1630
4-(10,15,20-Triphenyl-21H,23H-porphin-5-yl)benzoic acid (ACI)
5-(4-Carboxyphenyl)-10,15,20-triphenylprophyrin
5-(4′-Carboxyphenyl)-10,15,20-triphenylporphyrin
5-p-Carboxyphenyl-10,15,20-triphenylporphyrin
CATPP
AS-69326
4-(10,15,20-Triphenyl-5-porphyrinyl)benzoic acid
4-{7,12,17-triphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}benzoic acid
CHEMBL2326209
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoic acid
5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin, 97%
5-(4'-carboxyphenyl)-10,15,20-triphenylporphin
AKOS015836325
4-(10,15,20-Triphenyl-porphyrin-5-yl)-benzoic acid
Benzoic acid, 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)-
MFCD06227751
CS-0086048
4-[(1Z,4Z,9Z,15Z)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl]benzoic acid
5-(4-carboxyphenyl)-10,15,20-(triphenyl)porphyrin
4-(10,15,20-triphenyl-21H,23H-porphin- 5-yl)benzoic acid
D89438
SCHEMBL483511
YSWG106

MDL Number

MFCD01366156

FAQ

What are the physical and chemical properties of 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8)?

5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8) is a crystalline compound with a molecular weight of approximately 966.31 g/mol. It has limited solubility in common organic solvents like dimethyl sulfoxide (DMSO) and is less soluble in water. The compound exhibits strong reactivity towards metal ions, particularly iron, and can be used as a sensing and catalytic material.

How is 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8) typically synthesized?

5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin is commonly synthesized via the condensation of a 4-carboxyphenyl diazonium salt with meso-tetrakis(4-pentylphenyl)porphyrin. This process involves the use of a suitable base and is carried out in a solvent such as DMF. The yield is typically high, with selectivity towards the desired product being excellent.

What industries use 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8)?

5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8) is used in various industries for its unique optical and electronic properties. It is extensively used in pharmaceuticals for its antioxidant and photodynamic therapy applications, in sensing technologies for its high sensitivity to metal ions, and in semiconductors for its photoactive properties.

What precautions should be taken when handling 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8)?

When handling 5-(4-Carboxyphenyl)-10,15,20-triphenylporphyrin (CAS: 95051-10-8), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight. In case of spillage, use appropriate spill kits and consult the Safety Data Sheet (SDS) for detailed cleanup procedures. Dispose of any waste in accordance with local regulations.