5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole

C24H19NOS — CID 176907996

IUPAC5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
SMILESCOc1ccc2[nH]c(-c3sc4ccccc4c3C)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H19NOS/c1-15-18-10-6-7-11-21(18)27-24(15)23-22(16-8-4-3-5-9-16)19-14-17(26-2)12-13-20(19)25-23/h3-14,25H,1-2H3
InChIKeyYAWYCLWQGCAQHK-UHFFFAOYSA-N
MW369.49 g/mol
LogP7.03
Rot. Bonds3

About 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole

5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole (PubChem CID 176907996) has the molecular formula C24H19NOS and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
PubChem CID176907996
Molecular FormulaC24H19NOS
Molecular Weight369.49 g/mol
Exact Mass369.12
IUPAC Name5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
SMILESCOc1ccc2[nH]c(-c3sc4ccccc4c3C)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H19NOS/c1-15-18-10-6-7-11-21(18)27-24(15)23-22(16-8-4-3-5-9-16)19-14-17(26-2)12-13-20(19)25-23/h3-14,25H,1-2H3
InChIKeyYAWYCLWQGCAQHK-UHFFFAOYSA-N
XLogP7.03
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
CID 176907994
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
6-methoxy-2,3-dimethyl-9H-carbazole-1,4-dione
CID 11043317
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
2-[4-(2-fluorophenyl)phenyl]-5-methoxy-3-methyl-1H-indole
CID 2741187
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole?
The IUPAC name of 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole (CID 176907996) is 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole.
What is the SMILES notation for 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole?
The canonical SMILES for 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole is COc1ccc2[nH]c(-c3sc4ccccc4c3C)c(-c3ccccc3)c2c1.
What is the InChIKey of 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole?
The InChIKey is YAWYCLWQGCAQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NOS/c1-15-18-10-6-7-11-21(18)27-24(15)23-22(16-8-4-3-5-9-16)19-14-17(26-2)12-13-20(19)25-23/h3-14,25H,1-2H3.
What are the key properties of 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole?
5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole has a molecular weight of 369.49 g/mol, XLogP of 7.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole is sourced from PubChem (CID 176907996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).