2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole

C38H25N3 — CID 160811833

IUPAC2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C)c1
InChIInChI=1S/C38H25N3/c1-25-23-27(39-2)20-22-33(25)41-35-17-9-7-14-32(35)38-29(15-10-18-36(38)41)26-19-21-31-30-13-6-8-16-34(30)40(37(31)24-26)28-11-4-3-5-12-28/h3-24H,1H3
InChIKeyNXNOFSUPFNIULO-UHFFFAOYSA-N
MW523.64 g/mol
LogP10.41
Rot. Bonds3

About 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole

2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole (PubChem CID 160811833) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole
PubChem CID160811833
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C)c1
InChIInChI=1S/C38H25N3/c1-25-23-27(39-2)20-22-33(25)41-35-17-9-7-14-32(35)38-29(15-10-18-36(38)41)26-19-21-31-30-13-6-8-16-34(30)40(37(31)24-26)28-11-4-3-5-12-28/h3-24H,1H3
InChIKeyNXNOFSUPFNIULO-UHFFFAOYSA-N
XLogP10.41
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole 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-methyl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122418166
4-(9-phenylcarbazol-2-yl)-9-[2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]carbazole
CID 170386628
5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576934
2-[9-(2-carbazol-9-yl-4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455093
9-[2-(5,9-diphenylcarbazol-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824343
2-[5-(6,9-diphenylcarbazol-3-yl)-3-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
CID 158635071
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
9-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422818
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
2-carbazol-9-yl-6-isocyano-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-carbazol-9-yl-5-isocyano-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;bis(5-isocyano-3-methyl-2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile);6-isocyano-2-phenyl-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 159576933

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole (CID 160811833) is 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cccc32)c(C)c1.
What is the InChIKey of 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is NXNOFSUPFNIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-25-23-27(39-2)20-22-33(25)41-35-17-9-7-14-32(35)38-29(15-10-18-36(38)41)26-19-21-31-30-13-6-8-16-34(30)40(37(31)24-26)28-11-4-3-5-12-28/h3-24H,1H3.
What are the key properties of 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole?
2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 523.64 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-isocyano-2-methylphenyl)carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 160811833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).