3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole

C25H22N2O — CID 155816956

IUPAC3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole
SMILESCOc1cccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H22N2O/c1-25(17-8-7-9-18(14-17)28-2,21-15-26-23-12-5-3-10-19(21)23)22-16-27-24-13-6-4-11-20(22)24/h3-16,26-27H,1-2H3
InChIKeyBQWKTNKHMHTTTH-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.01
Rot. Bonds4

About 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole

3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole (PubChem CID 155816956) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole
PubChem CID155816956
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole
SMILESCOc1cccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H22N2O/c1-25(17-8-7-9-18(14-17)28-2,21-15-26-23-12-5-3-10-19(21)23)22-16-27-24-13-6-4-11-20(22)24/h3-16,26-27H,1-2H3
InChIKeyBQWKTNKHMHTTTH-UHFFFAOYSA-N
XLogP6.01
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
CID 102503116
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol
CID 102503108
2-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyrimidin-5-ylacetaldehyde
CID 89479943
methyl 3-[(1S)-1-(2-hydroxy-4-methoxyphenyl)-1-phenylethyl]-1H-indole-5-carboxylate
CID 102503111
2-[(1S)-1-(1H-indol-3-yl)-1-phenylethyl]-5-prop-2-enoxyphenol
CID 102503115
2-[(1S)-1-(6-chloro-1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]phenol
CID 122215370
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
CID 113084136
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole?
The IUPAC name of 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole (CID 155816956) is 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole.
What is the SMILES notation for 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole?
The canonical SMILES for 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole is COc1cccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole?
The InChIKey is BQWKTNKHMHTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-25(17-8-7-9-18(14-17)28-2,21-15-26-23-12-5-3-10-19(21)23)22-16-27-24-13-6-4-11-20(22)24/h3-16,26-27H,1-2H3.
What are the key properties of 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole?
3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole has a molecular weight of 366.46 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole is sourced from PubChem (CID 155816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).