9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile

C45H25N5 — CID 155603633

IUPAC9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C45H25N5/c1-48-40-21-20-31(49-41-15-7-4-12-34(41)35-13-5-8-16-42(35)49)26-37(40)32-10-2-3-11-33(32)38-24-29(27-46)18-22-44(38)50-43-17-9-6-14-36(43)39-25-30(28-47)19-23-45(39)50/h2-26H
InChIKeyOLAHTQMAYJVSGS-UHFFFAOYSA-N
MW635.73 g/mol
LogP11.51
Rot. Bonds4

About 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile

9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 155603633) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
PubChem CID155603633
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C45H25N5/c1-48-40-21-20-31(49-41-15-7-4-12-34(41)35-13-5-8-16-42(35)49)26-37(40)32-10-2-3-11-33(32)38-24-29(27-46)18-22-44(38)50-43-17-9-6-14-36(43)39-25-30(28-47)19-23-45(39)50/h2-26H
InChIKeyOLAHTQMAYJVSGS-UHFFFAOYSA-N
XLogP11.51
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-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-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[3-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605099
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-4-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155603674
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
CID 169076296
9-[3-[5-cyano-2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604221
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604163

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile (CID 155603633) is 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile is [C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
The InChIKey is OLAHTQMAYJVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c1-48-40-21-20-31(49-41-15-7-4-12-34(41)35-13-5-8-16-42(35)49)26-37(40)32-10-2-3-11-33(32)38-24-29(27-46)18-22-44(38)50-43-17-9-6-14-36(43)39-25-30(28-47)19-23-45(39)50/h2-26H.
What are the key properties of 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile?
9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile has a molecular weight of 635.73 g/mol, XLogP of 11.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155603633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).