2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile

C32H19N3 — CID 155645732

IUPAC2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C32H19N3/c1-34-29-14-8-11-25(21-33)32(29)24-16-18-30-28(19-24)27-17-15-23(22-9-4-2-5-10-22)20-31(27)35(30)26-12-6-3-7-13-26/h2-20H
InChIKeyCNSBIQXVKHGZNV-UHFFFAOYSA-N
MW445.53 g/mol
LogP8.54
Rot. Bonds3

About 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile

2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile (PubChem CID 155645732) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
PubChem CID155645732
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1ccccc1
InChIInChI=1S/C32H19N3/c1-34-29-14-8-11-25(21-33)32(29)24-16-18-30-28(19-24)27-17-15-23(22-9-4-2-5-10-22)20-31(27)35(30)26-12-6-3-7-13-26/h2-20H
InChIKeyCNSBIQXVKHGZNV-UHFFFAOYSA-N
XLogP8.54
TPSA33.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile 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

3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645713
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140827120
2-[8-(2-cyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[7-(2-isocyanophenyl)-9-phenylcarbazol-2-yl]benzene-1,3-dicarbonitrile;3-isocyano-2-(3,6,9-triphenylcarbazol-2-yl)benzonitrile;2-[6-phenyl-9-(3-phenylphenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 159146349
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
4-[3-(6,9-diphenylcarbazol-2-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122418234
2-isocyano-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 123932337
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
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585

Frequently Asked Questions

What is the IUPAC name of 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile (CID 155645732) is 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1ccc(-c3ccccc3)cc1n2-c1ccccc1.
What is the InChIKey of 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile?
The InChIKey is CNSBIQXVKHGZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c1-34-29-14-8-11-25(21-33)32(29)24-16-18-30-28(19-24)27-17-15-23(22-9-4-2-5-10-22)20-31(27)35(30)26-12-6-3-7-13-26/h2-20H.
What are the key properties of 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile?
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile has a molecular weight of 445.53 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 155645732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).