9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole

C40H31N3 — CID 163658571

IUPAC9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
SMILESCc1cc(C2C=CC(c3ccc4c5ccc6cc(-c7ccccc7)ccc6c5n(-c5ccccc5)c4c3)=CN2C)ccn1
InChIInChI=1S/C40H31N3/c1-27-23-32(21-22-41-27)38-20-16-33(26-42(38)2)30-14-18-36-37-19-15-31-24-29(28-9-5-3-6-10-28)13-17-35(31)40(37)43(39(36)25-30)34-11-7-4-8-12-34/h3-26,38H,1-2H3
InChIKeyISJOVYHWYPRIKN-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.89
Rot. Bonds4

About 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole

9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole (PubChem CID 163658571) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole.

Molecular Properties

Compound Name9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
PubChem CID163658571
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC Name9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole
SMILESCc1cc(C2C=CC(c3ccc4c5ccc6cc(-c7ccccc7)ccc6c5n(-c5ccccc5)c4c3)=CN2C)ccn1
InChIInChI=1S/C40H31N3/c1-27-23-32(21-22-41-27)38-20-16-33(26-42(38)2)30-14-18-36-37-19-15-31-24-29(28-9-5-3-6-10-28)13-17-35(31)40(37)43(39(36)25-30)34-11-7-4-8-12-34/h3-26,38H,1-2H3
InChIKeyISJOVYHWYPRIKN-UHFFFAOYSA-N
XLogP9.89
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole 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

3,9-bis[3-(3-methyl-2-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 147320703
2-[4-[3-[4-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]-11-phenylbenzo[a]carbazol-9-yl]phenyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250156
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
11-phenyl-9-(4-pyridin-4-ylphenyl)-3-(5-pyridin-2-yl-3-pyridinyl)benzo[a]carbazole
CID 148690574
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
CID 163989198
4,4,5,5-tetramethyl-2-[3-[11-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)phenyl]benzo[a]carbazol-9-yl]phenyl]-1,3-thiazole
CID 135250175
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
9-[5-(4-methyl-1,2-dihydropyridin-2-yl)-2-pyridinyl]-3-naphthalen-1-yl-11-phenylbenzo[a]carbazole
CID 163641562
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 147270263

Frequently Asked Questions

What is the IUPAC name of 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole?
The IUPAC name of 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole (CID 163658571) is 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole.
What is the SMILES notation for 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole?
The canonical SMILES for 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole is Cc1cc(C2C=CC(c3ccc4c5ccc6cc(-c7ccccc7)ccc6c5n(-c5ccccc5)c4c3)=CN2C)ccn1.
What is the InChIKey of 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole?
The InChIKey is ISJOVYHWYPRIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3/c1-27-23-32(21-22-41-27)38-20-16-33(26-42(38)2)30-14-18-36-37-19-15-31-24-29(28-9-5-3-6-10-28)13-17-35(31)40(37)43(39(36)25-30)34-11-7-4-8-12-34/h3-26,38H,1-2H3.
What are the key properties of 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole?
9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole has a molecular weight of 553.71 g/mol, XLogP of 9.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-methyl-2-(2-methyl-4-pyridinyl)-2H-pyridin-5-yl]-3,11-diphenylbenzo[a]carbazole is sourced from PubChem (CID 163658571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).