1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene

C38H30O2S — CID 175481180

IUPAC1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30O2S/c39-41(40,35-25-21-33(22-26-35)37(29-13-5-1-6-14-29)30-15-7-2-8-16-30)36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28,37-38H
InChIKeyAOSWHCLJBQFBQV-UHFFFAOYSA-N
MW550.72 g/mol
LogP8.88
Rot. Bonds8

About 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene

1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene (PubChem CID 175481180) has the molecular formula C38H30O2S and a molecular weight of 550.72 g/mol. Its IUPAC name is 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene
PubChem CID175481180
Molecular FormulaC38H30O2S
Molecular Weight550.72 g/mol
Exact Mass550.20
IUPAC Name1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene
SMILESO=S(=O)(c1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30O2S/c39-41(40,35-25-21-33(22-26-35)37(29-13-5-1-6-14-29)30-15-7-2-8-16-30)36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28,37-38H
InChIKeyAOSWHCLJBQFBQV-UHFFFAOYSA-N
XLogP8.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
benzhydrylbenzene;isocyanic acid
CID 172798878
benzenesulfonylbenzene;oxalic acid
CID 67897674
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene?
The IUPAC name of 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene (CID 175481180) is 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene?
The canonical SMILES for 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene is O=S(=O)(c1ccc(C(c2ccccc2)c2ccccc2)cc1)c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene?
The InChIKey is AOSWHCLJBQFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2S/c39-41(40,35-25-21-33(22-26-35)37(29-13-5-1-6-14-29)30-15-7-2-8-16-30)36-27-23-34(24-28-36)38(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-28,37-38H.
What are the key properties of 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene?
1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene has a molecular weight of 550.72 g/mol, XLogP of 8.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4-benzhydrylphenyl)sulfonylbenzene is sourced from PubChem (CID 175481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).