7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole

C39H28N2 — CID 142675503

IUPAC7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole
SMILESCc1ccc2c(c1)nc1n2Cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-1
InChIInChI=1S/C39H28N2/c1-26-22-23-33-32(24-26)40-39-38-31(25-41(33)39)34(27-14-6-2-7-15-27)35(28-16-8-3-9-17-28)36(29-18-10-4-11-19-29)37(38)30-20-12-5-13-21-30/h2-24H,25H2,1H3
InChIKeyZPLGCLKWAYXWFY-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.04
Rot. Bonds4

About 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole

7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole (PubChem CID 142675503) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole
PubChem CID142675503
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole
SMILESCc1ccc2c(c1)nc1n2Cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-1
InChIInChI=1S/C39H28N2/c1-26-22-23-33-32(24-26)40-39-38-31(25-41(33)39)34(27-14-6-2-7-15-27)35(28-16-8-3-9-17-28)36(29-18-10-4-11-19-29)37(38)30-20-12-5-13-21-30/h2-24H,25H2,1H3
InChIKeyZPLGCLKWAYXWFY-UHFFFAOYSA-N
XLogP10.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45104351
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CID 72721451
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
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1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
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7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
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CID 158707390
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
7-tert-butyl-1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
CID 91160153
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(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
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7-methyl-2-phenylquinazoline
CID 102363369

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole?
The IUPAC name of 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole (CID 142675503) is 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole.
What is the SMILES notation for 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole?
The canonical SMILES for 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole is Cc1ccc2c(c1)nc1n2Cc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-1.
What is the InChIKey of 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole?
The InChIKey is ZPLGCLKWAYXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-26-22-23-33-32(24-26)40-39-38-31(25-41(33)39)34(27-14-6-2-7-15-27)35(28-16-8-3-9-17-28)36(29-18-10-4-11-19-29)37(38)30-20-12-5-13-21-30/h2-24H,25H2,1H3.
What are the key properties of 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole?
7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole has a molecular weight of 524.67 g/mol, XLogP of 10.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetraphenyl-11H-isoindolo[2,1-a]benzimidazole is sourced from PubChem (CID 142675503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).