[(1,3,8,10-Tetraoxo-1,3,8,10-tetrahydroisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)di-4,1-phenylene]diboronic acid | CAS No. 1798300-46-5

[(1,3,8,10-Tetraoxo-1,3,8,10-tetrahydroisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-2,9-diyl)di-4,1-phenylene]diboronic acid

Basic Information

CAS Number

1798300-46-5

Molecular Formula

C36H20B2N2O8

Molecular Weight

630.19 g/mol

AD

Basic Physical Properties

Density

1.69±0.1 g/cm3(Predicted)

OB(c1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)B(O)O)O

InChI

InChI=1S/C36H20B2N2O8/c41-33-25-13-9-21-23-11-15-27-32-28(36(44)40(35(27)43)20-7-3-18(4-8-20)38(47)48)16-12-24(30(23)32)22-10-14-26(31(25)29(21)22)34(42)39(33)19-5-1-17(2-6-19)37(45)46/h1-16,45-48H

InChIKey

LQIGQWJNWGTJBV-UHFFFAOYSA-N

LogP

2.6980000000000044

pKa

8.25±0.17(Predicted)

Topological Polar Surface Area

155.68 Ų

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

1180

Synonyms & References

English

  • Boronicacid,B,B'-[(1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-4,1-phenylene]bis-
  • ((1,3,8,10-tetraoxo-1,3,8,10-tetrahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-2,9-diyl)bis(4,1-phenylene))diboronicacid
  • b,b'-[ (1,3,8,10-tetrahydro-1,3,8,10-tetraoxoanthra[2,1,9-def: 6,5,10-d'e'f']diisoquinoline-2,9-diyl)di-4,1-phenylene]bis-boronicacid
  • (1,3,8,10 tetraoxo 1,3,8,10 tetraoxanthracene [2,1,9-DEF: 6,5,10-D'E'F '] diisoquinoline-2,9-diyl) bis (4,1-phenylene) diboronic acid)
  • CID 145712040

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