[diphenyl(tritylsulfonyl)methyl]benzene

C38H30O2S — CID 70285414

IUPAC[diphenyl(tritylsulfonyl)methyl]benzene
SMILESO=S(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H30O2S/c39-41(40,37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyRXFDTOIGAHCMGP-UHFFFAOYSA-N
MW550.72 g/mol
LogP8.39
Rot. Bonds8

About [diphenyl(tritylsulfonyl)methyl]benzene

[diphenyl(tritylsulfonyl)methyl]benzene (PubChem CID 70285414) has the molecular formula C38H30O2S and a molecular weight of 550.72 g/mol. Its IUPAC name is [diphenyl(tritylsulfonyl)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(tritylsulfonyl)methyl]benzene
PubChem CID70285414
Molecular FormulaC38H30O2S
Molecular Weight550.72 g/mol
Exact Mass550.20
IUPAC Name[diphenyl(tritylsulfonyl)methyl]benzene
SMILESO=S(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H30O2S/c39-41(40,37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
InChIKeyRXFDTOIGAHCMGP-UHFFFAOYSA-N
XLogP8.39
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 ≤ 58.39
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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Frequently Asked Questions

What is the IUPAC name of [diphenyl(tritylsulfonyl)methyl]benzene?
The IUPAC name of [diphenyl(tritylsulfonyl)methyl]benzene (CID 70285414) is [diphenyl(tritylsulfonyl)methyl]benzene.
What is the SMILES notation for [diphenyl(tritylsulfonyl)methyl]benzene?
The canonical SMILES for [diphenyl(tritylsulfonyl)methyl]benzene is O=S(=O)(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(tritylsulfonyl)methyl]benzene?
The InChIKey is RXFDTOIGAHCMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2S/c39-41(40,37(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H.
What are the key properties of [diphenyl(tritylsulfonyl)methyl]benzene?
[diphenyl(tritylsulfonyl)methyl]benzene has a molecular weight of 550.72 g/mol, XLogP of 8.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(tritylsulfonyl)methyl]benzene is sourced from PubChem (CID 70285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).