2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene

C37H28O2S — CID 102599504

IUPAC2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H28O2S/c1-27-12-23-35(24-13-27)40(38,39)37-26-34(29-10-6-3-7-11-29)22-25-36(37)33-20-18-32(19-21-33)31-16-14-30(15-17-31)28-8-4-2-5-9-28/h2-26H,1H3
InChIKeyIXFNMUJOECPAMP-UHFFFAOYSA-N
MW536.70 g/mol
LogP9.50
Rot. Bonds6

About 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene

2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 102599504) has the molecular formula C37H28O2S and a molecular weight of 536.70 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID102599504
Molecular FormulaC37H28O2S
Molecular Weight536.70 g/mol
Exact Mass536.18
IUPAC Name2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
SMILESCc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H28O2S/c1-27-12-23-35(24-13-27)40(38,39)37-26-34(29-10-6-3-7-11-29)22-25-36(37)33-20-18-32(19-21-33)31-16-14-30(15-17-31)28-8-4-2-5-9-28/h2-26H,1H3
InChIKeyIXFNMUJOECPAMP-UHFFFAOYSA-N
XLogP9.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene (CID 102599504) is 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene is Cc1ccc(S(=O)(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is IXFNMUJOECPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O2S/c1-27-12-23-35(24-13-27)40(38,39)37-26-34(29-10-6-3-7-11-29)22-25-36(37)33-20-18-32(19-21-33)31-16-14-30(15-17-31)28-8-4-2-5-9-28/h2-26H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene?
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 536.70 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 102599504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).