5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one

C38H25N7O — CID 172507154

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
SMILESO=c1n(-c2ccccn2)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2n1-c1ccccn1
InChIInChI=1S/C38H25N7O/c46-38-44(33-15-7-9-23-39-33)31-22-21-30(25-32(31)45(38)34-16-8-10-24-40-34)26-17-19-29(20-18-26)37-42-35(27-11-3-1-4-12-27)41-36(43-37)28-13-5-2-6-14-28/h1-25H
InChIKeyJSVXSQRNWXRNNJ-UHFFFAOYSA-N
MW595.67 g/mol
LogP7.42
Rot. Bonds6

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one (PubChem CID 172507154) has the molecular formula C38H25N7O and a molecular weight of 595.67 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
PubChem CID172507154
Molecular FormulaC38H25N7O
Molecular Weight595.67 g/mol
Exact Mass595.21
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
SMILESO=c1n(-c2ccccn2)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2n1-c1ccccn1
InChIInChI=1S/C38H25N7O/c46-38-44(33-15-7-9-23-39-33)31-22-21-30(25-32(31)45(38)34-16-8-10-24-40-34)26-17-19-29(20-18-26)37-42-35(27-11-3-1-4-12-27)41-36(43-37)28-13-5-2-6-14-28/h1-25H
InChIKeyJSVXSQRNWXRNNJ-UHFFFAOYSA-N
XLogP7.42
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.67
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one with MolForge

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Related Compounds

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-pyridin-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 172507219
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
CID 172507759
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one
CID 172507709
1,3-dimethyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507275
1,3-dimethyl-5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazol-2-one
CID 172507342
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166563611
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507247
4,6-diphenyl-1-pyridin-2-ylpyridin-2-one
CID 629641
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one (CID 172507154) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one is O=c1n(-c2ccccn2)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2n1-c1ccccn1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one?
The InChIKey is JSVXSQRNWXRNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N7O/c46-38-44(33-15-7-9-23-39-33)31-22-21-30(25-32(31)45(38)34-16-8-10-24-40-34)26-17-19-29(20-18-26)37-42-35(27-11-3-1-4-12-27)41-36(43-37)28-13-5-2-6-14-28/h1-25H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one has a molecular weight of 595.67 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 172507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).