5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile

C44H26N4 — CID 155603787

IUPAC5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C#N)cc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c1-46-39-16-10-15-34(44(39)48-42-19-8-4-13-37(42)38-14-5-9-20-43(38)48)30-23-21-29(22-24-30)33-26-25-32(27-31(33)28-45)47-40-17-6-2-11-35(40)36-12-3-7-18-41(36)47/h2-27H
InChIKeyPBPWAWDMYSZNPV-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.64
Rot. Bonds4

About 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile

5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile (PubChem CID 155603787) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
PubChem CID155603787
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C#N)cc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c1-46-39-16-10-15-34(44(39)48-42-19-8-4-13-37(42)38-14-5-9-20-43(38)48)30-23-21-29(22-24-30)33-26-25-32(27-31(33)28-45)47-40-17-6-2-11-35(40)36-12-3-7-18-41(36)47/h2-27H
InChIKeyPBPWAWDMYSZNPV-UHFFFAOYSA-N
XLogP11.64
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile 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-[4-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604257
2-(2-carbazol-9-yl-3-isocyanophenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile
CID 155604937
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
CID 155605095
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604163
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155603718
2-(4-carbazol-9-ylphenyl)-5-[2-(1-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604643
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 161355143
2-carbazol-9-yl-5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603603
2-carbazol-9-yl-4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603483
2,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140728568
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155604281

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile?
The IUPAC name of 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile (CID 155603787) is 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile is [C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3C#N)cc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile?
The InChIKey is PBPWAWDMYSZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-46-39-16-10-15-34(44(39)48-42-19-8-4-13-37(42)38-14-5-9-20-43(38)48)30-23-21-29(22-24-30)33-26-25-32(27-31(33)28-45)47-40-17-6-2-11-35(40)36-12-3-7-18-41(36)47/h2-27H.
What are the key properties of 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile?
5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile has a molecular weight of 610.72 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile is sourced from PubChem (CID 155603787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).