9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile

C45H25N5 — CID 155604721

IUPAC9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile
SMILES[C-]#[N+]c1cccc2c1c1cc(C#N)ccc1n2-c1ccccc1-c1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c1-48-38-18-10-22-43-45(38)37-25-29(27-46)23-24-42(37)50(43)41-21-7-4-16-35(41)36-17-9-12-31(28-47)44(36)30-11-8-13-32(26-30)49-39-19-5-2-14-33(39)34-15-3-6-20-40(34)49/h2-26H
InChIKeyYMFFBAMCZCATKL-UHFFFAOYSA-N
MW635.73 g/mol
LogP11.51
Rot. Bonds4

About 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile

9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile (PubChem CID 155604721) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile
PubChem CID155604721
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile
SMILES[C-]#[N+]c1cccc2c1c1cc(C#N)ccc1n2-c1ccccc1-c1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c1-48-38-18-10-22-43-45(38)37-25-29(27-46)23-24-42(37)50(43)41-21-7-4-16-35(41)36-17-9-12-31(28-47)44(36)30-11-8-13-32(26-30)49-39-19-5-2-14-33(39)34-15-3-6-20-40(34)49/h2-26H
InChIKeyYMFFBAMCZCATKL-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-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-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-[3-[5-cyano-2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604221
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-4-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155603674
9-[3-[3-cyano-4-[2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603697
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080017
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603824
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[3-[2-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[5-(3-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-isocyano-3-[2-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 157339409
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603610

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile?
The IUPAC name of 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile (CID 155604721) is 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile?
The canonical SMILES for 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile is [C-]#[N+]c1cccc2c1c1cc(C#N)ccc1n2-c1ccccc1-c1cccc(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile?
The InChIKey is YMFFBAMCZCATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c1-48-38-18-10-22-43-45(38)37-25-29(27-46)23-24-42(37)50(43)41-21-7-4-16-35(41)36-17-9-12-31(28-47)44(36)30-11-8-13-32(26-30)49-39-19-5-2-14-33(39)34-15-3-6-20-40(34)49/h2-26H.
What are the key properties of 9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile?
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-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-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]-5-isocyanocarbazole-3-carbonitrile is sourced from PubChem (CID 155604721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).