phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone

C30H24OS — CID 5252522

IUPACphenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)C=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C30H24OS/c31-29(24-17-9-3-10-18-24)28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-30(28)25-19-11-4-12-20-25/h1-21,26,28,30H
InChIKeyKOCZNJRGRLWLCU-UHFFFAOYSA-N
MW432.59 g/mol
LogP7.80
Rot. Bonds5

About phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone

phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone (PubChem CID 5252522) has the molecular formula C30H24OS and a molecular weight of 432.59 g/mol. Its IUPAC name is phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone
PubChem CID5252522
Molecular FormulaC30H24OS
Molecular Weight432.59 g/mol
Exact Mass432.15
IUPAC Namephenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone
SMILESO=C(c1ccccc1)C1C(c2ccccc2)C=C(c2ccccc2)SC1c1ccccc1
InChIInChI=1S/C30H24OS/c31-29(24-17-9-3-10-18-24)28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-30(28)25-19-11-4-12-20-25/h1-21,26,28,30H
InChIKeyKOCZNJRGRLWLCU-UHFFFAOYSA-N
XLogP7.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone?
The IUPAC name of phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone (CID 5252522) is phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone.
What is the SMILES notation for phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone?
The canonical SMILES for phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone is O=C(c1ccccc1)C1C(c2ccccc2)C=C(c2ccccc2)SC1c1ccccc1.
What is the InChIKey of phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone?
The InChIKey is KOCZNJRGRLWLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OS/c31-29(24-17-9-3-10-18-24)28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)32-30(28)25-19-11-4-12-20-25/h1-21,26,28,30H.
What are the key properties of phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone?
phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone has a molecular weight of 432.59 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,4,6-triphenyl-3,4-dihydro-2H-thiopyran-3-yl)methanone is sourced from PubChem (CID 5252522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).