1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one

C42H29N5O2 — CID 167485252

IUPAC1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)n4)cc3)ccc21
InChIInChI=1S/C42H29N5O2/c1-46-35-22-21-30(25-36(35)47(2)42(46)48)26-17-19-29(20-18-26)40-43-39(28-13-7-4-8-14-28)44-41(45-40)31-23-33(27-11-5-3-6-12-27)38-34(24-31)32-15-9-10-16-37(32)49-38/h3-25H,1-2H3
InChIKeyNABDCUGVLBTTTP-UHFFFAOYSA-N
MW635.73 g/mol
LogP9.30
Rot. Bonds5

About 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one

1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one (PubChem CID 167485252) has the molecular formula C42H29N5O2 and a molecular weight of 635.73 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
PubChem CID167485252
Molecular FormulaC42H29N5O2
Molecular Weight635.73 g/mol
Exact Mass635.23
IUPAC Name1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)n4)cc3)ccc21
InChIInChI=1S/C42H29N5O2/c1-46-35-22-21-30(25-36(35)47(2)42(46)48)26-17-19-29(20-18-26)40-43-39(28-13-7-4-8-14-28)44-41(45-40)31-23-33(27-11-5-3-6-12-27)38-34(24-31)32-15-9-10-16-37(32)49-38/h3-25H,1-2H3
InChIKeyNABDCUGVLBTTTP-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-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485479
5-[3-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507120
1,3-dimethyl-5-[4-[4-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507396
1,3-dimethyl-5-[4-[4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507648
5-[4-[4-[4-(2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485224
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
5-[3-[6-(3-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485284
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
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-[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-[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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one (CID 167485252) is 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)n4)cc3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?
The InChIKey is NABDCUGVLBTTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5O2/c1-46-35-22-21-30(25-36(35)47(2)42(46)48)26-17-19-29(20-18-26)40-43-39(28-13-7-4-8-14-28)44-41(45-40)31-23-33(27-11-5-3-6-12-27)38-34(24-31)32-15-9-10-16-37(32)49-38/h3-25H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?
1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-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 1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one is sourced from PubChem (CID 167485252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).