9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid

C34H20N2O8 — CID 102450053

IUPAC9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(-n2c3ccc(C(=O)O)cc3c3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C34H20N2O8/c37-31(38)17-1-9-27-23(13-17)24-14-18(32(39)40)2-10-28(24)35(27)21-5-7-22(8-6-21)36-29-11-3-19(33(41)42)15-25(29)26-16-20(34(43)44)4-12-30(26)36/h1-16H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKeyJGSNUWGALXIOPQ-UHFFFAOYSA-N
MW584.54 g/mol
LogP6.67
Rot. Bonds6

About 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid

9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid (PubChem CID 102450053) has the molecular formula C34H20N2O8 and a molecular weight of 584.54 g/mol. Its IUPAC name is 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid.

Molecular Properties

Compound Name9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid
PubChem CID102450053
Molecular FormulaC34H20N2O8
Molecular Weight584.54 g/mol
Exact Mass584.12
IUPAC Name9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(-n2c3ccc(C(=O)O)cc3c3cc(C(=O)O)ccc32)cc1
InChIInChI=1S/C34H20N2O8/c37-31(38)17-1-9-27-23(13-17)24-14-18(32(39)40)2-10-28(24)35(27)21-5-7-22(8-6-21)36-29-11-3-19(33(41)42)15-25(29)26-16-20(34(43)44)4-12-30(26)36/h1-16H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)
InChIKeyJGSNUWGALXIOPQ-UHFFFAOYSA-N
XLogP6.67
TPSA159.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.54
LogP ≤ 56.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid?
The IUPAC name of 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid (CID 102450053) is 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid.
What is the SMILES notation for 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid?
The canonical SMILES for 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid is O=C(O)c1ccc2c(c1)c1cc(C(=O)O)ccc1n2-c1ccc(-n2c3ccc(C(=O)O)cc3c3cc(C(=O)O)ccc32)cc1.
What is the InChIKey of 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid?
The InChIKey is JGSNUWGALXIOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O8/c37-31(38)17-1-9-27-23(13-17)24-14-18(32(39)40)2-10-28(24)35(27)21-5-7-22(8-6-21)36-29-11-3-19(33(41)42)15-25(29)26-16-20(34(43)44)4-12-30(26)36/h1-16H,(H,37,38)(H,39,40)(H,41,42)(H,43,44).
What are the key properties of 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid?
9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid has a molecular weight of 584.54 g/mol, XLogP of 6.67, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,6-dicarboxycarbazol-9-yl)phenyl]carbazole-3,6-dicarboxylic acid is sourced from PubChem (CID 102450053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).