6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole

C21H17NS — CID 138969708

IUPAC6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
SMILESCc1ccc2c(Sc3ccccc3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)22-20(16-8-4-2-5-9-16)21(18)23-17-10-6-3-7-11-17/h2-14,22H,1H3
InChIKeyFBVFXZGABNWQAM-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.29
Rot. Bonds3

About 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole

6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole (PubChem CID 138969708) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
PubChem CID138969708
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
SMILESCc1ccc2c(Sc3ccccc3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)22-20(16-8-4-2-5-9-16)21(18)23-17-10-6-3-7-11-17/h2-14,22H,1H3
InChIKeyFBVFXZGABNWQAM-UHFFFAOYSA-N
XLogP6.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
2-(6-methyl-3-phenylsulfanyl-1H-indol-2-yl)acetamide
CID 90480442
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
N-benzyl-6-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 22513772
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 118908788
2-methyl-6-(3-phenylsulfanyl-1H-indol-2-yl)aniline
CID 140968076
6-methyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-1H-indole-2-carboxylic acid
CID 71625868
3-methyl-5H-phenanthridin-6-one
CID 59877971
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
3-methyl-2-phenyl-1H-indol-6-ol
CID 22141383
1-methyl-3-phenyl-2H-isoindole
CID 13307622

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole?
The IUPAC name of 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole (CID 138969708) is 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole.
What is the SMILES notation for 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole?
The canonical SMILES for 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole is Cc1ccc2c(Sc3ccccc3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole?
The InChIKey is FBVFXZGABNWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-15-12-13-18-19(14-15)22-20(16-8-4-2-5-9-16)21(18)23-17-10-6-3-7-11-17/h2-14,22H,1H3.
What are the key properties of 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole?
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole has a molecular weight of 315.44 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole is sourced from PubChem (CID 138969708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).