2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile

C40H19N5O — CID 155645790

IUPAC2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3[N+]#[C-])ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H19N5O/c1-43-33-10-5-7-26(22-41)39(33)24-13-16-35-30(19-24)31-20-25(40-27(23-42)8-6-11-34(40)44-2)14-17-36(31)45(35)28-15-18-38-32(21-28)29-9-3-4-12-37(29)46-38/h3-21H
InChIKeyJIYYXOOLJYYWRL-UHFFFAOYSA-N
MW585.63 g/mol
LogP10.86
Rot. Bonds3

About 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile

2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile (PubChem CID 155645790) has the molecular formula C40H19N5O and a molecular weight of 585.63 g/mol. Its IUPAC name is 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
PubChem CID155645790
Molecular FormulaC40H19N5O
Molecular Weight585.63 g/mol
Exact Mass585.16
IUPAC Name2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3[N+]#[C-])ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C40H19N5O/c1-43-33-10-5-7-26(22-41)39(33)24-13-16-35-30(19-24)31-20-25(40-27(23-42)8-6-11-34(40)44-2)14-17-36(31)45(35)28-15-18-38-32(21-28)29-9-3-4-12-37(29)46-38/h3-21H
InChIKeyJIYYXOOLJYYWRL-UHFFFAOYSA-N
XLogP10.86
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.63
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile 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

3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 155357773
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732
2-[9-(3-carbazol-9-ylphenyl)-5-(2-cyano-6-isocyanophenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-6,9-diphenylcarbazol-1-yl]benzene-1,3-dicarbonitrile;2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 161333811
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2-(7-dibenzothiophen-2-ylbenzo[c]carbazol-10-yl)-3-isocyanobenzonitrile
CID 155645624
3-(10-anthracen-9-ylanthracen-9-yl)-9-dibenzofuran-2-yl-6-isocyanocarbazole
CID 123833694

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile?
The IUPAC name of 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile (CID 155645790) is 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile.
What is the SMILES notation for 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile?
The canonical SMILES for 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3c(C#N)cccc3[N+]#[C-])ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile?
The InChIKey is JIYYXOOLJYYWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H19N5O/c1-43-33-10-5-7-26(22-41)39(33)24-13-16-35-30(19-24)31-20-25(40-27(23-42)8-6-11-34(40)44-2)14-17-36(31)45(35)28-15-18-38-32(21-28)29-9-3-4-12-37(29)46-38/h3-21H.
What are the key properties of 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile?
2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile has a molecular weight of 585.63 g/mol, XLogP of 10.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile is sourced from PubChem (CID 155645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).