9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole

C43H27N3 — CID 155604969

IUPAC9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c1-44-38-26-25-31(45-40-21-8-3-16-33(40)34-17-4-9-22-41(34)45)28-37(38)30-14-12-13-29(27-30)32-15-2-7-20-39(32)46-42-23-10-5-18-35(42)36-19-6-11-24-43(36)46/h2-28H
InChIKeyIHGATFVVJRMMFB-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.77
Rot. Bonds4

About 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole

9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole (PubChem CID 155604969) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
PubChem CID155604969
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C43H27N3/c1-44-38-26-25-31(45-40-21-8-3-16-33(40)34-17-4-9-22-41(34)45)28-37(38)30-14-12-13-29(27-30)32-15-2-7-20-39(32)46-42-23-10-5-18-35(42)36-19-6-11-24-43(36)46/h2-28H
InChIKeyIHGATFVVJRMMFB-UHFFFAOYSA-N
XLogP11.77
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
CID 169076296
9-[4-isocyano-3-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]carbazole
CID 167336195
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
9-[2-[6-(3-carbazol-9-ylphenyl)-2,3-diisocyanophenyl]phenyl]-3-isocyanocarbazole
CID 155603778
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081408
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-4-phenylbenzonitrile;3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)benzonitrile;4-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)-6-phenylbenzonitrile;9-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-phenylphenyl]carbazole
CID 158343073
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]phenyl]carbazole
CID 154603281
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155603633

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole (CID 155604969) is 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole?
The InChIKey is IHGATFVVJRMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-44-38-26-25-31(45-40-21-8-3-16-33(40)34-17-4-9-22-41(34)45)28-37(38)30-14-12-13-29(27-30)32-15-2-7-20-39(32)46-42-23-10-5-18-35(42)36-19-6-11-24-43(36)46/h2-28H.
What are the key properties of 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole?
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole has a molecular weight of 585.71 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 155604969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).