9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole

C39H30N6 — CID 153285594

IUPAC9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1C=CN(c2cccc(-n3c4cc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6n5C)ccc4c4cccnc43)c2)C1
InChIInChI=1S/C39H30N6/c1-42-19-20-44(25-42)31-9-5-10-32(24-31)45-36-23-30(14-16-33(36)34-11-6-18-40-39(34)45)38-41-35-17-15-29(22-37(35)43(38)2)28-13-12-26-7-3-4-8-27(26)21-28/h3-24H,25H2,1-2H3
InChIKeyGZJSKKGEGGCBAW-UHFFFAOYSA-N
MW582.71 g/mol
LogP8.73
Rot. Bonds4

About 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole

9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole (PubChem CID 153285594) has the molecular formula C39H30N6 and a molecular weight of 582.71 g/mol. Its IUPAC name is 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole
PubChem CID153285594
Molecular FormulaC39H30N6
Molecular Weight582.71 g/mol
Exact Mass582.25
IUPAC Name9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1C=CN(c2cccc(-n3c4cc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6n5C)ccc4c4cccnc43)c2)C1
InChIInChI=1S/C39H30N6/c1-42-19-20-44(25-42)31-9-5-10-32(24-31)45-36-23-30(14-16-33(36)34-11-6-18-40-39(34)45)38-41-35-17-15-29(22-37(35)43(38)2)28-13-12-26-7-3-4-8-27(26)21-28/h3-24H,25H2,1-2H3
InChIKeyGZJSKKGEGGCBAW-UHFFFAOYSA-N
XLogP8.73
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole 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

9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-5-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
CID 153285387
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
CID 153285355
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)-8H-pyrido[2,3-b]indol-8-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-6-naphthalen-2-yl-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-7-naphthalen-2-yl-1H-carbazol-1-ide;tris(platinum(2+))
CID 158200684
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
9-[3-(2-imidazo[1,5-a]pyridin-3-ylcarbazol-9-yl)phenyl]pyrido[2,3-b]indole
CID 140730023

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole (CID 153285594) is 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole is CN1C=CN(c2cccc(-n3c4cc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6n5C)ccc4c4cccnc43)c2)C1.
What is the InChIKey of 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The InChIKey is GZJSKKGEGGCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N6/c1-42-19-20-44(25-42)31-9-5-10-32(24-31)45-36-23-30(14-16-33(36)34-11-6-18-40-39(34)45)38-41-35-17-15-29(22-37(35)43(38)2)28-13-12-26-7-3-4-8-27(26)21-28/h3-24H,25H2,1-2H3.
What are the key properties of 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole?
9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 582.71 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-7-(1-methyl-6-naphthalen-2-ylbenzimidazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 153285594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).