2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid

C32H21NO4 — CID 175205717

IUPAC2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C32H21NO4/c34-31(35)24-12-7-13-25(32(36)37)30(24)33-28-16-14-22(20-8-3-1-4-9-20)18-26(28)27-19-23(15-17-29(27)33)21-10-5-2-6-11-21/h1-19H,(H,34,35)(H,36,37)
InChIKeyZKPANGKONMTAAA-UHFFFAOYSA-N
MW483.52 g/mol
LogP7.51
Rot. Bonds5

About 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid

2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid (PubChem CID 175205717) has the molecular formula C32H21NO4 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid
PubChem CID175205717
Molecular FormulaC32H21NO4
Molecular Weight483.52 g/mol
Exact Mass483.15
IUPAC Name2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C32H21NO4/c34-31(35)24-12-7-13-25(32(36)37)30(24)33-28-16-14-22(20-8-3-1-4-9-20)18-26(28)27-19-23(15-17-29(27)33)21-10-5-2-6-11-21/h1-19H,(H,34,35)(H,36,37)
InChIKeyZKPANGKONMTAAA-UHFFFAOYSA-N
XLogP7.51
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid (CID 175205717) is 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid?
The InChIKey is ZKPANGKONMTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO4/c34-31(35)24-12-7-13-25(32(36)37)30(24)33-28-16-14-22(20-8-3-1-4-9-20)18-26(28)27-19-23(15-17-29(27)33)21-10-5-2-6-11-21/h1-19H,(H,34,35)(H,36,37).
What are the key properties of 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid?
2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid has a molecular weight of 483.52 g/mol, XLogP of 7.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 175205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).