bis(diphenylmethanone);phenylsulfanylbenzene

C38H30O2S — CID 159073316

IUPACbis(diphenylmethanone);phenylsulfanylbenzene
SMILESO=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/2C13H10O.C12H10S/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*1-10H;1-10H
InChIKeyJZYAFXVUVNNMKY-UHFFFAOYSA-N
MW550.72 g/mol
LogP9.67
Rot. Bonds6

About bis(diphenylmethanone);phenylsulfanylbenzene

bis(diphenylmethanone);phenylsulfanylbenzene (PubChem CID 159073316) has the molecular formula C38H30O2S and a molecular weight of 550.72 g/mol. Its IUPAC name is bis(diphenylmethanone);phenylsulfanylbenzene.

Molecular Properties

Compound Namebis(diphenylmethanone);phenylsulfanylbenzene
PubChem CID159073316
Molecular FormulaC38H30O2S
Molecular Weight550.72 g/mol
Exact Mass550.20
IUPAC Namebis(diphenylmethanone);phenylsulfanylbenzene
SMILESO=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/2C13H10O.C12H10S/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*1-10H;1-10H
InChIKeyJZYAFXVUVNNMKY-UHFFFAOYSA-N
XLogP9.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
phenylsulfanylbenzene;urea
CID 161199097
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
CID 169083095
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327

Frequently Asked Questions

What is the IUPAC name of bis(diphenylmethanone);phenylsulfanylbenzene?
The IUPAC name of bis(diphenylmethanone);phenylsulfanylbenzene (CID 159073316) is bis(diphenylmethanone);phenylsulfanylbenzene.
What is the SMILES notation for bis(diphenylmethanone);phenylsulfanylbenzene?
The canonical SMILES for bis(diphenylmethanone);phenylsulfanylbenzene is O=C(c1ccccc1)c1ccccc1.O=C(c1ccccc1)c1ccccc1.c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of bis(diphenylmethanone);phenylsulfanylbenzene?
The InChIKey is JZYAFXVUVNNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10O.C12H10S/c2*14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*1-10H;1-10H.
What are the key properties of bis(diphenylmethanone);phenylsulfanylbenzene?
bis(diphenylmethanone);phenylsulfanylbenzene has a molecular weight of 550.72 g/mol, XLogP of 9.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylmethanone);phenylsulfanylbenzene is sourced from PubChem (CID 159073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).