2-phenyl-2-phenylsulfanyl-3H-inden-1-one

C21H16OS — CID 12958818

IUPAC2-phenyl-2-phenylsulfanyl-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16OS/c22-20-19-14-8-7-9-16(19)15-21(20,17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyDPXAOZNXSRCILW-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.11
Rot. Bonds3

About 2-phenyl-2-phenylsulfanyl-3H-inden-1-one

2-phenyl-2-phenylsulfanyl-3H-inden-1-one (PubChem CID 12958818) has the molecular formula C21H16OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-3H-inden-1-one.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-3H-inden-1-one
PubChem CID12958818
Molecular FormulaC21H16OS
Molecular Weight316.43 g/mol
Exact Mass316.09
IUPAC Name2-phenyl-2-phenylsulfanyl-3H-inden-1-one
SMILESO=C1c2ccccc2CC1(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H16OS/c22-20-19-14-8-7-9-16(19)15-21(20,17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyDPXAOZNXSRCILW-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-3H-inden-1-one?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-3H-inden-1-one (CID 12958818) is 2-phenyl-2-phenylsulfanyl-3H-inden-1-one.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-3H-inden-1-one?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-3H-inden-1-one is O=C1c2ccccc2CC1(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-3H-inden-1-one?
The InChIKey is DPXAOZNXSRCILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16OS/c22-20-19-14-8-7-9-16(19)15-21(20,17-10-3-1-4-11-17)23-18-12-5-2-6-13-18/h1-14H,15H2.
What are the key properties of 2-phenyl-2-phenylsulfanyl-3H-inden-1-one?
2-phenyl-2-phenylsulfanyl-3H-inden-1-one has a molecular weight of 316.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-3H-inden-1-one is sourced from PubChem (CID 12958818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).