[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone

C26H19ClO — CID 12666774

IUPAC[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H19ClO/c27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)25(28)20-10-4-1-5-11-20/h1-19H
InChIKeyXOYBZDORSKGQQC-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.45
Rot. Bonds5

About [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone

[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone (PubChem CID 12666774) has the molecular formula C26H19ClO and a molecular weight of 382.89 g/mol. Its IUPAC name is [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
PubChem CID12666774
Molecular FormulaC26H19ClO
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC Name[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H19ClO/c27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)25(28)20-10-4-1-5-11-20/h1-19H
InChIKeyXOYBZDORSKGQQC-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone
CID 3102
CID 161391832
CID 161391832
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
2-phenylpropan-2-yl 4-benzoylbenzenecarbodithioate
CID 59819125
2,2-dimethylpropane;diphenylmethanone
CID 159191976
[dichloro(phenyl)methyl]benzene;diphenylmethanone;pentachloro-λ5-phosphane;phosphoryl trichloride
CID 157363375
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone (CID 12666774) is [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone?
The InChIKey is XOYBZDORSKGQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO/c27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)24-18-16-21(17-19-24)25(28)20-10-4-1-5-11-20/h1-19H.
What are the key properties of [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone?
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone has a molecular weight of 382.89 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 12666774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).