1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole

C25H22N2O — CID 170794725

IUPAC1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole
SMILESCOc1ccc(CC(n2ccc3ccccc32)n2ccc3ccccc32)cc1
InChIInChI=1S/C25H22N2O/c1-28-22-12-10-19(11-13-22)18-25(26-16-14-20-6-2-4-8-23(20)26)27-17-15-21-7-3-5-9-24(21)27/h2-17,25H,18H2,1H3
InChIKeyVIYDFGZCOOVUDV-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.89
Rot. Bonds5

About 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole

1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole (PubChem CID 170794725) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole.

Molecular Properties

Compound Name1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole
PubChem CID170794725
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole
SMILESCOc1ccc(CC(n2ccc3ccccc32)n2ccc3ccccc32)cc1
InChIInChI=1S/C25H22N2O/c1-28-22-12-10-19(11-13-22)18-25(26-16-14-20-6-2-4-8-23(20)26)27-17-15-21-7-3-5-9-24(21)27/h2-17,25H,18H2,1H3
InChIKeyVIYDFGZCOOVUDV-UHFFFAOYSA-N
XLogP5.89
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1-(4-methoxyphenyl)-1H-indole
CID 775715
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
(3r,4s)-1-[(2-Methoxyphenyl)methyl]-N,N-Dimethyl-4-(1-Methylindol-3-Yl)pyrrolidin-3-Amine
CID 124037093
[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline
CID 25050478
5-[2-(4-Methoxyphenyl)ethyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126325
6-Methoxy-1-(3-methylbutyl)indole
CID 44359444
8-Fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225027
4-(5-Methoxyindol-1-yl)-2-methylquinoline
CID 141750511

Frequently Asked Questions

What is the IUPAC name of 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole?
The IUPAC name of 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole (CID 170794725) is 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole.
What is the SMILES notation for 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole?
The canonical SMILES for 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole is COc1ccc(CC(n2ccc3ccccc32)n2ccc3ccccc32)cc1.
What is the InChIKey of 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole?
The InChIKey is VIYDFGZCOOVUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-28-22-12-10-19(11-13-22)18-25(26-16-14-20-6-2-4-8-23(20)26)27-17-15-21-7-3-5-9-24(21)27/h2-17,25H,18H2,1H3.
What are the key properties of 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole?
1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole has a molecular weight of 366.46 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-indol-1-yl-2-(4-methoxyphenyl)ethyl]indole is sourced from PubChem (CID 170794725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).