5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

C42H29N5O2 — CID 172507120

IUPAC5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)n4)c3)ccc21
InChIInChI=1S/C42H29N5O2/c1-46-35-21-19-29(24-36(35)47(2)42(46)48)27-12-8-14-31(22-27)40-43-39(26-10-4-3-5-11-26)44-41(45-40)32-15-9-13-28(23-32)30-18-20-34-33-16-6-7-17-37(33)49-38(34)25-30/h3-25H,1-2H3
InChIKeyOKIRNLDNFUCFKR-UHFFFAOYSA-N
MW635.73 g/mol
LogP9.30
Rot. Bonds5

About 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one

5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 172507120) has the molecular formula C42H29N5O2 and a molecular weight of 635.73 g/mol. Its IUPAC name is 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID172507120
Molecular FormulaC42H29N5O2
Molecular Weight635.73 g/mol
Exact Mass635.23
IUPAC Name5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)n4)c3)ccc21
InChIInChI=1S/C42H29N5O2/c1-46-35-21-19-29(24-36(35)47(2)42(46)48)27-12-8-14-31(22-27)40-43-39(26-10-4-3-5-11-26)44-41(45-40)32-15-9-13-28(23-32)30-18-20-34-33-16-6-7-17-37(33)49-38(34)25-30/h3-25H,1-2H3
InChIKeyOKIRNLDNFUCFKR-UHFFFAOYSA-N
XLogP9.30
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[6-(3-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485284
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507247
1,3-dimethyl-5-[3-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485043
1,3-dimethyl-5-[4-[4-(3-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485459
1,3-dimethyl-5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazol-2-one
CID 172507342
1,3-dimethyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507275
5-[3-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507369
1,3-dimethyl-5-[4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazol-2-one
CID 172507599
5-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507323
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
1,3-dimethyl-5-[3-[2-phenyl-6-(3-phenyldibenzofuran-1-yl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485372
1,3-dimethyl-5-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507648

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (CID 172507120) is 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)n4)c3)ccc21.
What is the InChIKey of 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OKIRNLDNFUCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5O2/c1-46-35-21-19-29(24-36(35)47(2)42(46)48)27-12-8-14-31(22-27)40-43-39(26-10-4-3-5-11-26)44-41(45-40)32-15-9-13-28(23-32)30-18-20-34-33-16-6-7-17-37(33)49-38(34)25-30/h3-25H,1-2H3.
What are the key properties of 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 635.73 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 172507120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).