(3-benzoyl-5-benzylphenyl)-phenylmethanone

C27H20O2 — CID 13496348

IUPAC(3-benzoyl-5-benzylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cc2ccccc2)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H20O2/c28-26(22-12-6-2-7-13-22)24-17-21(16-20-10-4-1-5-11-20)18-25(19-24)27(29)23-14-8-3-9-15-23/h1-15,17-19H,16H2
InChIKeyRXRBMKHLXLXOHJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.74
Rot. Bonds6

About (3-benzoyl-5-benzylphenyl)-phenylmethanone

(3-benzoyl-5-benzylphenyl)-phenylmethanone (PubChem CID 13496348) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3-benzoyl-5-benzylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-5-benzylphenyl)-phenylmethanone
PubChem CID13496348
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name(3-benzoyl-5-benzylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cc2ccccc2)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C27H20O2/c28-26(22-12-6-2-7-13-22)24-17-21(16-20-10-4-1-5-11-20)18-25(19-24)27(29)23-14-8-3-9-15-23/h1-15,17-19H,16H2
InChIKeyRXRBMKHLXLXOHJ-UHFFFAOYSA-N
XLogP5.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone
CID 3102
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
benzylbenzene;diphenylmethanone;prop-2-enyl formate
CID 174817716
3-benzylbenzamide;hydrochloride
CID 159409318
[3-[[3,5-bis(4-tert-butylbenzoyl)phenyl]methyl]-5-(4-tert-butylbenzoyl)phenyl]-(4-tert-butylphenyl)methanone
CID 58299012
bromomethylbenzene;diphenylmethanone
CID 159613438
(3-benzoyl-5-iodophenyl)-phenylmethanone
CID 126685146
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-5-benzylphenyl)-phenylmethanone?
The IUPAC name of (3-benzoyl-5-benzylphenyl)-phenylmethanone (CID 13496348) is (3-benzoyl-5-benzylphenyl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-5-benzylphenyl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-5-benzylphenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cc2ccccc2)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoyl-5-benzylphenyl)-phenylmethanone?
The InChIKey is RXRBMKHLXLXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2/c28-26(22-12-6-2-7-13-22)24-17-21(16-20-10-4-1-5-11-20)18-25(19-24)27(29)23-14-8-3-9-15-23/h1-15,17-19H,16H2.
What are the key properties of (3-benzoyl-5-benzylphenyl)-phenylmethanone?
(3-benzoyl-5-benzylphenyl)-phenylmethanone has a molecular weight of 376.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-5-benzylphenyl)-phenylmethanone is sourced from PubChem (CID 13496348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).