9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile

C44H26N4 — CID 155605095

IUPAC9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C44H26N4/c1-46-38-15-9-14-34(44(38)48-41-18-7-4-13-37(41)43-32(28-45)10-8-19-42(43)48)31-22-20-29(21-23-31)30-24-26-33(27-25-30)47-39-16-5-2-11-35(39)36-12-3-6-17-40(36)47/h2-27H
InChIKeyWDYNULHABDQSLD-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.64
Rot. Bonds4

About 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile

9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile (PubChem CID 155605095) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
PubChem CID155605095
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1-n1c2ccccc2c2c(C#N)cccc21
InChIInChI=1S/C44H26N4/c1-46-38-15-9-14-34(44(38)48-41-18-7-4-13-37(41)43-32(28-45)10-8-19-42(43)48)31-22-20-29(21-23-31)30-24-26-33(27-25-30)47-39-16-5-2-11-35(39)36-12-3-6-17-40(36)47/h2-27H
InChIKeyWDYNULHABDQSLD-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 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile 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-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155605019
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155604281
5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603787
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155603718
2-(2-carbazol-9-yl-3-isocyanophenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile
CID 155604937
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-cyanophenyl]carbazole-4-carbonitrile
CID 154958615
2-(2-carbazol-9-ylcarbazol-9-yl)-5-[2-(2-isocyanocarbazol-9-yl)phenyl]benzonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-5-isocyanophenyl]carbazole-4-carbonitrile;9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile
CID 159281399
9-(4-isocyanophenyl)carbazole-4-carbonitrile
CID 164818731
14-[2-isocyano-6-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140794106
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-[3-[9-(2-cyano-6-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140720967

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile (CID 155605095) is 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile is [C-]#[N+]c1cccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1-n1c2ccccc2c2c(C#N)cccc21.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?
The InChIKey is WDYNULHABDQSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-46-38-15-9-14-34(44(38)48-41-18-7-4-13-37(41)43-32(28-45)10-8-19-42(43)48)31-22-20-29(21-23-31)30-24-26-33(27-25-30)47-39-16-5-2-11-35(39)36-12-3-6-17-40(36)47/h2-27H.
What are the key properties of 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile?
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile 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 9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 155605095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).