phenyl-(4-phenylphenyl)methanone

C38H28O2 — CID 155775877

IUPACphenyl-(4-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C19H14O/c2*20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2*1-14H
InChIKeyVIHFRCKJTLYJMW-UHFFFAOYSA-N
MW516.64 g/mol
LogP9.17
Rot. Bonds6

About phenyl-(4-phenylphenyl)methanone

phenyl-(4-phenylphenyl)methanone (PubChem CID 155775877) has the molecular formula C38H28O2 and a molecular weight of 516.64 g/mol. Its IUPAC name is phenyl-(4-phenylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenylphenyl)methanone
PubChem CID155775877
Molecular FormulaC38H28O2
Molecular Weight516.64 g/mol
Exact Mass516.21
IUPAC Namephenyl-(4-phenylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C19H14O/c2*20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2*1-14H
InChIKeyVIHFRCKJTLYJMW-UHFFFAOYSA-N
XLogP9.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
[4-(4-boranylphenyl)phenyl]-phenylmethanone
CID 88897170
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenylphenyl)methanone?
The IUPAC name of phenyl-(4-phenylphenyl)methanone (CID 155775877) is phenyl-(4-phenylphenyl)methanone.
What is the SMILES notation for phenyl-(4-phenylphenyl)methanone?
The canonical SMILES for phenyl-(4-phenylphenyl)methanone is O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenyl-(4-phenylphenyl)methanone?
The InChIKey is VIHFRCKJTLYJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14O/c2*20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2*1-14H.
What are the key properties of phenyl-(4-phenylphenyl)methanone?
phenyl-(4-phenylphenyl)methanone has a molecular weight of 516.64 g/mol, XLogP of 9.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenylphenyl)methanone is sourced from PubChem (CID 155775877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).