9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole

C39H30N6 — CID 153285355

IUPAC9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1CN(c2cccc(-n3c4cc(-c5nc6cccc(-c7ccccc7)c6n5C)ccc4c4cccnc43)c2)c2ccccc21
InChIInChI=1S/C39H30N6/c1-42-25-44(35-19-7-6-18-34(35)42)28-13-8-14-29(24-28)45-36-23-27(20-21-31(36)32-16-10-22-40-39(32)45)38-41-33-17-9-15-30(37(33)43(38)2)26-11-4-3-5-12-26/h3-24H,25H2,1-2H3
InChIKeyPTGJJHWWXMDCQA-UHFFFAOYSA-N
MW582.71 g/mol
LogP8.94
Rot. Bonds4

About 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole

9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole (PubChem CID 153285355) has the molecular formula C39H30N6 and a molecular weight of 582.71 g/mol. Its IUPAC name is 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
PubChem CID153285355
Molecular FormulaC39H30N6
Molecular Weight582.71 g/mol
Exact Mass582.25
IUPAC Name9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
SMILESCN1CN(c2cccc(-n3c4cc(-c5nc6cccc(-c7ccccc7)c6n5C)ccc4c4cccnc43)c2)c2ccccc21
InChIInChI=1S/C39H30N6/c1-42-25-44(35-19-7-6-18-34(35)42)28-13-8-14-29(24-28)45-36-23-27(20-21-31(36)32-16-10-22-40-39(32)45)38-41-33-17-9-15-30(37(33)43(38)2)26-11-4-3-5-12-26/h3-24H,25H2,1-2H3
InChIKeyPTGJJHWWXMDCQA-UHFFFAOYSA-N
XLogP8.94
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 ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
5-(9H-fluoren-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]carbazole
CID 161111850
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
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
9-[3-[[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]phenyl]pyrido[2,3-b]indole
CID 168848406
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587670
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 162011548
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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole (CID 153285355) is 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole is CN1CN(c2cccc(-n3c4cc(-c5nc6cccc(-c7ccccc7)c6n5C)ccc4c4cccnc43)c2)c2ccccc21.
What is the InChIKey of 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole?
The InChIKey is PTGJJHWWXMDCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N6/c1-42-25-44(35-19-7-6-18-34(35)42)28-13-8-14-29(24-28)45-36-23-27(20-21-31(36)32-16-10-22-40-39(32)45)38-41-33-17-9-15-30(37(33)43(38)2)26-11-4-3-5-12-26/h3-24H,25H2,1-2H3.
What are the key properties of 9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole?
9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole has a molecular weight of 582.71 g/mol, XLogP of 8.94, 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-benzimidazol-1-yl)phenyl]-7-(1-methyl-7-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 153285355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).