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

C43H30N4O2 — CID 167485479

IUPAC5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C43H30N4O2/c1-46-38-23-22-31(25-39(38)47(2)43(46)48)30-12-8-13-32(24-30)37-26-36(44-42(45-37)29-10-4-3-5-11-29)28-20-18-27(19-21-28)33-15-9-16-35-34-14-6-7-17-40(34)49-41(33)35/h3-26H,1-2H3
InChIKeyVIBYJOFPNYXJFC-UHFFFAOYSA-N
MW634.74 g/mol
LogP9.90
Rot. Bonds5

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

5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 167485479) has the molecular formula C43H30N4O2 and a molecular weight of 634.74 g/mol. Its IUPAC name is 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID167485479
Molecular FormulaC43H30N4O2
Molecular Weight634.74 g/mol
Exact Mass634.24
IUPAC Name5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccccc5)n4)c3)ccc21
InChIInChI=1S/C43H30N4O2/c1-46-38-23-22-31(25-39(38)47(2)43(46)48)30-12-8-13-32(24-30)37-26-36(44-42(45-37)29-10-4-3-5-11-29)28-20-18-27(19-21-28)33-15-9-16-35-34-14-6-7-17-40(34)49-41(33)35/h3-26H,1-2H3
InChIKeyVIBYJOFPNYXJFC-UHFFFAOYSA-N
XLogP9.90
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507323
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485252
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
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-[3-[2-phenyl-6-(3-phenyldibenzofuran-1-yl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485372
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 172507658
1,3-dimethyl-5-[3-(6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]benzimidazol-2-one
CID 172507483
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one (CID 167485479) is 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3cccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccccc5)n4)c3)ccc21.
What is the InChIKey of 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is VIBYJOFPNYXJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O2/c1-46-38-23-22-31(25-39(38)47(2)43(46)48)30-12-8-13-32(24-30)37-26-36(44-42(45-37)29-10-4-3-5-11-29)28-20-18-27(19-21-28)33-15-9-16-35-34-14-6-7-17-40(34)49-41(33)35/h3-26H,1-2H3.
What are the key properties of 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one?
5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 634.74 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 167485479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).