4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one

C26H18N2O — CID 144815674

IUPAC4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccccc2[nH]1
InChIInChI=1S/C26H18N2O/c29-26-27-24-12-5-4-11-23(24)25(28-26)20-15-13-19(14-16-20)22-10-6-9-21(17-22)18-7-2-1-3-8-18/h1-17H,(H,27,28,29)
InChIKeyLQVDRNPANDIXNE-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.92
Rot. Bonds3

About 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one

4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one (PubChem CID 144815674) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
PubChem CID144815674
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccccc2[nH]1
InChIInChI=1S/C26H18N2O/c29-26-27-24-12-5-4-11-23(24)25(28-26)20-15-13-19(14-16-20)22-10-6-9-21(17-22)18-7-2-1-3-8-18/h1-17H,(H,27,28,29)
InChIKeyLQVDRNPANDIXNE-UHFFFAOYSA-N
XLogP5.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
2-chloro-4,6-diphenylquinazoline;4,6-diphenyl-1H-quinazolin-2-one
CID 161311284
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
17-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15(20),16,18-decaene
CID 163977300
4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one
CID 91179092
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one?
The IUPAC name of 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one (CID 144815674) is 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one.
What is the SMILES notation for 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one?
The canonical SMILES for 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one is O=c1nc(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2ccccc2[nH]1.
What is the InChIKey of 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one?
The InChIKey is LQVDRNPANDIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c29-26-27-24-12-5-4-11-23(24)25(28-26)20-15-13-19(14-16-20)22-10-6-9-21(17-22)18-7-2-1-3-8-18/h1-17H,(H,27,28,29).
What are the key properties of 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one?
4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one has a molecular weight of 374.44 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one is sourced from PubChem (CID 144815674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).