2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one

C29H23NOS — CID 10836543

IUPAC2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one
SMILESCC(SC1=Nc2ccccc2C1(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C29H23NOS/c1-21(27(31)22-13-5-2-6-14-22)32-28-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-20-26(25)30-28/h2-21H,1H3
InChIKeyTUDWIIJCBUWTTF-UHFFFAOYSA-N
MW433.58 g/mol
LogP7.07
Rot. Bonds5

About 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one

2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one (PubChem CID 10836543) has the molecular formula C29H23NOS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one
PubChem CID10836543
Molecular FormulaC29H23NOS
Molecular Weight433.58 g/mol
Exact Mass433.15
IUPAC Name2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one
SMILESCC(SC1=Nc2ccccc2C1(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C29H23NOS/c1-21(27(31)22-13-5-2-6-14-22)32-28-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-20-26(25)30-28/h2-21H,1H3
InChIKeyTUDWIIJCBUWTTF-UHFFFAOYSA-N
XLogP7.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 55640345
1-phenyl-2-propan-2-ylsulfanylpropan-1-one
CID 60885385
2-[(1-oxo-1-phenylpropan-2-yl)tetrasulfanyl]-1-phenylpropan-1-one
CID 101130768
1-phenyl-2-pyrimidin-4-ylsulfanylpropan-1-one
CID 63698537
S-(1-oxo-1-phenylpropan-2-yl) ethanethioate
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2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
(2S)-2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-methylphenyl)propan-1-one
CID 8004933
2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 134066880
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one
CID 7730857
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-one
CID 40591269
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 43426391

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one?
The IUPAC name of 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one (CID 10836543) is 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one is CC(SC1=Nc2ccccc2C1(c1ccccc1)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one?
The InChIKey is TUDWIIJCBUWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NOS/c1-21(27(31)22-13-5-2-6-14-22)32-28-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-20-26(25)30-28/h2-21H,1H3.
What are the key properties of 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one?
2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one has a molecular weight of 433.58 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 10836543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).