1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene

C24H26S2 — CID 101475089

IUPAC1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene
SMILESCC(C)Sc1cccc(-c2ccc(-c3ccccc3)cc2)c1SC(C)C
InChIInChI=1S/C24H26S2/c1-17(2)25-23-12-8-11-22(24(23)26-18(3)4)21-15-13-20(14-16-21)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyGCIYOIHDZJILJM-UHFFFAOYSA-N
MW378.61 g/mol
LogP8.02
Rot. Bonds6

About 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene

1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene (PubChem CID 101475089) has the molecular formula C24H26S2 and a molecular weight of 378.61 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene
PubChem CID101475089
Molecular FormulaC24H26S2
Molecular Weight378.61 g/mol
Exact Mass378.15
IUPAC Name1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene
SMILESCC(C)Sc1cccc(-c2ccc(-c3ccccc3)cc2)c1SC(C)C
InChIInChI=1S/C24H26S2/c1-17(2)25-23-12-8-11-22(24(23)26-18(3)4)21-15-13-20(14-16-21)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyGCIYOIHDZJILJM-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162041275
N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-triphenylacetamide
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1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(2,3-diphenylphenyl) thiohypofluorite;fluoroform
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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene?
The IUPAC name of 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene (CID 101475089) is 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene.
What is the SMILES notation for 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene?
The canonical SMILES for 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene is CC(C)Sc1cccc(-c2ccc(-c3ccccc3)cc2)c1SC(C)C.
What is the InChIKey of 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene?
The InChIKey is GCIYOIHDZJILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26S2/c1-17(2)25-23-12-8-11-22(24(23)26-18(3)4)21-15-13-20(14-16-21)19-9-6-5-7-10-19/h5-18H,1-4H3.
What are the key properties of 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene?
1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene has a molecular weight of 378.61 g/mol, XLogP of 8.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2,3-bis(propan-2-ylsulfanyl)benzene is sourced from PubChem (CID 101475089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).