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

C46H31N5O — CID 172507759

IUPAC5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C46H31N5O/c52-46-50(39-17-9-3-10-18-39)41-30-29-38(31-42(41)51(46)40-19-11-4-12-20-40)34-23-21-32(22-24-34)33-25-27-37(28-26-33)45-48-43(35-13-5-1-6-14-35)47-44(49-45)36-15-7-2-8-16-36/h1-31H
InChIKeyLPWSWOWXFQZLPX-UHFFFAOYSA-N
MW669.79 g/mol
LogP10.30
Rot. Bonds7

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

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one (PubChem CID 172507759) has the molecular formula C46H31N5O and a molecular weight of 669.79 g/mol. Its IUPAC name is 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
PubChem CID172507759
Molecular FormulaC46H31N5O
Molecular Weight669.79 g/mol
Exact Mass669.25
IUPAC Name5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2n1-c1ccccc1
InChIInChI=1S/C46H31N5O/c52-46-50(39-17-9-3-10-18-39)41-30-29-38(31-42(41)51(46)40-19-11-4-12-20-40)34-23-21-32(22-24-34)33-25-27-37(28-26-33)45-48-43(35-13-5-1-6-14-35)47-44(49-45)36-15-7-2-8-16-36/h1-31H
InChIKeyLPWSWOWXFQZLPX-UHFFFAOYSA-N
XLogP10.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.79
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
CID 172507154
1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507484
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485505
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
CID 167485196
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
1,3-bis[3,5-bis(3-phenylphenyl)phenyl]benzimidazol-2-one;1,3-bis[3-(3,5-diphenylphenyl)phenyl]benzimidazol-2-one;1,3-bis[4-(3,5-diphenylphenyl)phenyl]benzimidazol-2-one;1,3-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]benzimidazol-2-one;1,3-bis[3-phenyl-5-(3-phenylphenyl)phenyl]benzimidazol-2-one
CID 160879013
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
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one?
The IUPAC name of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one (CID 172507759) is 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one?
The canonical SMILES for 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one is O=c1n(-c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2n1-c1ccccc1.
What is the InChIKey of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one?
The InChIKey is LPWSWOWXFQZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5O/c52-46-50(39-17-9-3-10-18-39)41-30-29-38(31-42(41)51(46)40-19-11-4-12-20-40)34-23-21-32(22-24-34)33-25-27-37(28-26-33)45-48-43(35-13-5-1-6-14-35)47-44(49-45)36-15-7-2-8-16-36/h1-31H.
What are the key properties of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one?
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one has a molecular weight of 669.79 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one is sourced from PubChem (CID 172507759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).