phenyl-(3-phenyl-2-sulfanylphenyl)methanone

C19H14OS — CID 175169753

IUPACphenyl-(3-phenyl-2-sulfanylphenyl)methanone
SMILESO=C(c1ccccc1)c1cccc(-c2ccccc2)c1S
InChIInChI=1S/C19H14OS/c20-18(15-10-5-2-6-11-15)17-13-7-12-16(19(17)21)14-8-3-1-4-9-14/h1-13,21H
InChIKeyIASBGRUBCGDINJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.87
Rot. Bonds3

About phenyl-(3-phenyl-2-sulfanylphenyl)methanone

phenyl-(3-phenyl-2-sulfanylphenyl)methanone (PubChem CID 175169753) has the molecular formula C19H14OS and a molecular weight of 290.39 g/mol. Its IUPAC name is phenyl-(3-phenyl-2-sulfanylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-2-sulfanylphenyl)methanone
PubChem CID175169753
Molecular FormulaC19H14OS
Molecular Weight290.39 g/mol
Exact Mass290.08
IUPAC Namephenyl-(3-phenyl-2-sulfanylphenyl)methanone
SMILESO=C(c1ccccc1)c1cccc(-c2ccccc2)c1S
InChIInChI=1S/C19H14OS/c20-18(15-10-5-2-6-11-15)17-13-7-12-16(19(17)21)14-8-3-1-4-9-14/h1-13,21H
InChIKeyIASBGRUBCGDINJ-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2-benzoyl-6-phenylbenzoic acid
CID 174388121
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
3-(4-hydroxyphenyl)-2-sulfanylbenzoic acid
CID 142716231
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
phenyl-(4-phenylthiophen-3-yl)methanone
CID 10730343
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-2-sulfanylphenyl)methanone?
The IUPAC name of phenyl-(3-phenyl-2-sulfanylphenyl)methanone (CID 175169753) is phenyl-(3-phenyl-2-sulfanylphenyl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-2-sulfanylphenyl)methanone?
The canonical SMILES for phenyl-(3-phenyl-2-sulfanylphenyl)methanone is O=C(c1ccccc1)c1cccc(-c2ccccc2)c1S.
What is the InChIKey of phenyl-(3-phenyl-2-sulfanylphenyl)methanone?
The InChIKey is IASBGRUBCGDINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS/c20-18(15-10-5-2-6-11-15)17-13-7-12-16(19(17)21)14-8-3-1-4-9-14/h1-13,21H.
What are the key properties of phenyl-(3-phenyl-2-sulfanylphenyl)methanone?
phenyl-(3-phenyl-2-sulfanylphenyl)methanone has a molecular weight of 290.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-2-sulfanylphenyl)methanone is sourced from PubChem (CID 175169753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).