[benzhydrylsulfinyl(phenyl)methyl]benzene

C26H22OS — CID 22996619

IUPAC[benzhydrylsulfinyl(phenyl)methyl]benzene
SMILESO=S(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22OS/c27-28(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyFMEAWFJFFHSHOX-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.31
Rot. Bonds6

About [benzhydrylsulfinyl(phenyl)methyl]benzene

[benzhydrylsulfinyl(phenyl)methyl]benzene (PubChem CID 22996619) has the molecular formula C26H22OS and a molecular weight of 382.53 g/mol. Its IUPAC name is [benzhydrylsulfinyl(phenyl)methyl]benzene.

Molecular Properties

Compound Name[benzhydrylsulfinyl(phenyl)methyl]benzene
PubChem CID22996619
Molecular FormulaC26H22OS
Molecular Weight382.53 g/mol
Exact Mass382.14
IUPAC Name[benzhydrylsulfinyl(phenyl)methyl]benzene
SMILESO=S(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22OS/c27-28(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyFMEAWFJFFHSHOX-UHFFFAOYSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [benzhydrylsulfinyl(phenyl)methyl]benzene?
The IUPAC name of [benzhydrylsulfinyl(phenyl)methyl]benzene (CID 22996619) is [benzhydrylsulfinyl(phenyl)methyl]benzene.
What is the SMILES notation for [benzhydrylsulfinyl(phenyl)methyl]benzene?
The canonical SMILES for [benzhydrylsulfinyl(phenyl)methyl]benzene is O=S(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzhydrylsulfinyl(phenyl)methyl]benzene?
The InChIKey is FMEAWFJFFHSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OS/c27-28(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of [benzhydrylsulfinyl(phenyl)methyl]benzene?
[benzhydrylsulfinyl(phenyl)methyl]benzene has a molecular weight of 382.53 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [benzhydrylsulfinyl(phenyl)methyl]benzene is sourced from PubChem (CID 22996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).