9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole

C38H26N4 — CID 153486525

IUPAC9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole
SMILES[C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccc(C)cc32)ncc1-n1c2ccccc2c2ccc(C)cc21
InChIInChI=1S/C38H26N4/c1-24-16-18-29-27-11-5-8-14-33(27)41(35(29)20-24)37-23-40-38(22-31(37)26-10-4-7-13-32(26)39-3)42-34-15-9-6-12-28(34)30-19-17-25(2)21-36(30)42/h4-23H,1-2H3
InChIKeyQPBRAJQDAXCARM-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.11
Rot. Bonds3

About 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole

9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole (PubChem CID 153486525) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole.

Molecular Properties

Compound Name9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole
PubChem CID153486525
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole
SMILES[C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccc(C)cc32)ncc1-n1c2ccccc2c2ccc(C)cc21
InChIInChI=1S/C38H26N4/c1-24-16-18-29-27-11-5-8-14-33(27)41(35(29)20-24)37-23-40-38(22-31(37)26-10-4-7-13-32(26)39-3)42-34-15-9-6-12-28(34)30-19-17-25(2)21-36(30)42/h4-23H,1-2H3
InChIKeyQPBRAJQDAXCARM-UHFFFAOYSA-N
XLogP10.11
TPSA27.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole 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

2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
9-[4-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole;9-[4-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-methylcarbazole
CID 160555699
9-[4-(3-isocyanophenyl)-5-(2-pyrimidin-2-ylcarbazol-9-yl)-2-pyridinyl]-2-pyrimidin-2-ylcarbazole
CID 153486503
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
5-carbazol-9-yl-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 135345703
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
3-[2,4-bis(trifluoromethyl)phenyl]-9-[6-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-isocyanophenyl)-3-pyridinyl]carbazole
CID 159128303
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
9-[2-(2,7-dimethylcarbazol-9-yl)-4-isocyano-5-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
CID 140846679

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole?
The IUPAC name of 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole (CID 153486525) is 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole.
What is the SMILES notation for 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole?
The canonical SMILES for 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole is [C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccc(C)cc32)ncc1-n1c2ccccc2c2ccc(C)cc21.
What is the InChIKey of 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole?
The InChIKey is QPBRAJQDAXCARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-24-16-18-29-27-11-5-8-14-33(27)41(35(29)20-24)37-23-40-38(22-31(37)26-10-4-7-13-32(26)39-3)42-34-15-9-6-12-28(34)30-19-17-25(2)21-36(30)42/h4-23H,1-2H3.
What are the key properties of 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole?
9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole has a molecular weight of 538.65 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-isocyanophenyl)-5-(2-methylcarbazol-9-yl)-2-pyridinyl]-2-methylcarbazole is sourced from PubChem (CID 153486525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).