3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole

C25H22N2 — CID 72793438

IUPAC3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
SMILESCc1ccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-17-11-13-18(14-12-17)25(2,21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,26-27H,1-2H3
InChIKeyPVXCXLWEMJOJSG-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.31
Rot. Bonds3

About 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole

3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole (PubChem CID 72793438) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
PubChem CID72793438
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
SMILESCc1ccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-17-11-13-18(14-12-17)25(2,21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,26-27H,1-2H3
InChIKeyPVXCXLWEMJOJSG-UHFFFAOYSA-N
XLogP6.31
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
CID 123342747
2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
CID 102503116
3-[1-(1H-indol-3-yl)-1-(3-methoxyphenyl)ethyl]-1H-indole
CID 155816956
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol
CID 102503108
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2-[(1S)-1-(1H-indol-3-yl)-1-phenylethyl]-5-prop-2-enoxyphenol
CID 102503115
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole?
The IUPAC name of 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole (CID 72793438) is 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole.
What is the SMILES notation for 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole?
The canonical SMILES for 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole is Cc1ccc(C(C)(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole?
The InChIKey is PVXCXLWEMJOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-17-11-13-18(14-12-17)25(2,21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,26-27H,1-2H3.
What are the key properties of 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole?
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole has a molecular weight of 350.47 g/mol, XLogP of 6.31, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole is sourced from PubChem (CID 72793438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).