5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole

C25H21NS — CID 176907994

IUPAC5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C25H21NS/c1-15-8-11-18(12-9-15)23-20-14-16(2)10-13-21(20)26-24(23)25-17(3)19-6-4-5-7-22(19)27-25/h4-14,26H,1-3H3
InChIKeyLDOMKJSOWJJLKZ-UHFFFAOYSA-N
MW367.52 g/mol
LogP7.64
Rot. Bonds2

About 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole

5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole (PubChem CID 176907994) has the molecular formula C25H21NS and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
PubChem CID176907994
Molecular FormulaC25H21NS
Molecular Weight367.52 g/mol
Exact Mass367.14
IUPAC Name5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
SMILESCc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C25H21NS/c1-15-8-11-18(12-9-15)23-20-14-16(2)10-13-21(20)26-24(23)25-17(3)19-6-4-5-7-22(19)27-25/h4-14,26H,1-3H3
InChIKeyLDOMKJSOWJJLKZ-UHFFFAOYSA-N
XLogP7.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
CID 176907996
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
3,6-dimethyl-9H-carbazole
CID 144942624
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
CID 142748705
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057
3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
CID 143131565
2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
3-(4-methylphenyl)-1-benzothiophene-2-carbonitrile
CID 139640902
2-bromo-3-methyl-5-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene
CID 163803918
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole?
The IUPAC name of 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole (CID 176907994) is 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole.
What is the SMILES notation for 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole?
The canonical SMILES for 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole is Cc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole?
The InChIKey is LDOMKJSOWJJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NS/c1-15-8-11-18(12-9-15)23-20-14-16(2)10-13-21(20)26-24(23)25-17(3)19-6-4-5-7-22(19)27-25/h4-14,26H,1-3H3.
What are the key properties of 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole?
5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole has a molecular weight of 367.52 g/mol, XLogP of 7.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole is sourced from PubChem (CID 176907994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).