3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile

C32H18N3OP — CID 140713869

IUPAC3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2P4(=O)c2ccccc2)c1
InChIInChI=1S/C32H18N3OP/c1-34-22-17-21(20-33)18-23(19-22)35-28-13-7-5-11-25(28)26-15-16-30-31(32(26)35)27-12-6-8-14-29(27)37(30,36)24-9-3-2-4-10-24/h2-19H
InChIKeyYLXBPMITWXRMPI-UHFFFAOYSA-N
MW491.49 g/mol
LogP6.83
Rot. Bonds2

About 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile

3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile (PubChem CID 140713869) has the molecular formula C32H18N3OP and a molecular weight of 491.49 g/mol. Its IUPAC name is 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile
PubChem CID140713869
Molecular FormulaC32H18N3OP
Molecular Weight491.49 g/mol
Exact Mass491.12
IUPAC Name3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2P4(=O)c2ccccc2)c1
InChIInChI=1S/C32H18N3OP/c1-34-22-17-21(20-33)18-23(19-22)35-28-13-7-5-11-25(28)26-15-16-30-31(32(26)35)27-12-6-8-14-29(27)37(30,36)24-9-3-2-4-10-24/h2-19H
InChIKeyYLXBPMITWXRMPI-UHFFFAOYSA-N
XLogP6.83
TPSA50.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile 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-5-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 140713870
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 134444525
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile
CID 158402917
5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310791
8-[9-(3-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole-3-carbonitrile
CID 140759896
5-[3-[N-[9-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 140810338
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
CID 161364432
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile (CID 140713869) is 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile is [C-]#[N+]c1cc(C#N)cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2P4(=O)c2ccccc2)c1.
What is the InChIKey of 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile?
The InChIKey is YLXBPMITWXRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N3OP/c1-34-22-17-21(20-33)18-23(19-22)35-28-13-7-5-11-25(28)26-15-16-30-31(32(26)35)27-12-6-8-14-29(27)37(30,36)24-9-3-2-4-10-24/h2-19H.
What are the key properties of 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile?
3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile has a molecular weight of 491.49 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-5-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 140713869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).