2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile

C33H18N4 — CID 155645760

IUPAC2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cccc(-c3ccccc3C#N)c1n2-c1ccccc1
InChIInChI=1S/C33H18N4/c1-36-30-16-7-10-24(21-35)32(30)22-17-18-31-29(19-22)28-15-8-14-27(26-13-6-5-9-23(26)20-34)33(28)37(31)25-11-3-2-4-12-25/h2-19H
InChIKeyPFQXEYFGFWIQKS-UHFFFAOYSA-N
MW470.54 g/mol
LogP8.41
Rot. Bonds3

About 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile

2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile (PubChem CID 155645760) has the molecular formula C33H18N4 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
PubChem CID155645760
Molecular FormulaC33H18N4
Molecular Weight470.54 g/mol
Exact Mass470.15
IUPAC Name2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cccc(-c3ccccc3C#N)c1n2-c1ccccc1
InChIInChI=1S/C33H18N4/c1-36-30-16-7-10-24(21-35)32(30)22-17-18-31-29(19-22)28-15-8-14-27(26-13-6-5-9-23(26)20-34)33(28)37(31)25-11-3-2-4-12-25/h2-19H
InChIKeyPFQXEYFGFWIQKS-UHFFFAOYSA-N
XLogP8.41
TPSA56.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
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-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732
2-[8-(2-cyano-6-isocyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645675
2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
CID 140877447
2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
1-(2,6-diisocyanophenyl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 140877419
9-[3-cyano-2-[2-[4-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604423
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645790
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile?
The IUPAC name of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile (CID 155645760) is 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile.
What is the SMILES notation for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile?
The canonical SMILES for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cccc(-c3ccccc3C#N)c1n2-c1ccccc1.
What is the InChIKey of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile?
The InChIKey is PFQXEYFGFWIQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N4/c1-36-30-16-7-10-24(21-35)32(30)22-17-18-31-29(19-22)28-15-8-14-27(26-13-6-5-9-23(26)20-34)33(28)37(31)25-11-3-2-4-12-25/h2-19H.
What are the key properties of 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile?
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile has a molecular weight of 470.54 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile is sourced from PubChem (CID 155645760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).