2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole

C27H21NO — CID 139885625

IUPAC2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
SMILESc1ccc(COc2ccc(-c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C27H21NO/c1-3-9-20(10-4-1)19-29-23-17-15-21(16-18-23)26-24-13-7-8-14-25(24)28-27(26)22-11-5-2-6-12-22/h1-18,28H,19H2
InChIKeyJYCWQBMCERFTMY-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.08
Rot. Bonds5

About 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole

2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole (PubChem CID 139885625) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
PubChem CID139885625
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
SMILESc1ccc(COc2ccc(-c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C27H21NO/c1-3-9-20(10-4-1)19-29-23-17-15-21(16-18-23)26-24-13-7-8-14-25(24)28-27(26)22-11-5-2-6-12-22/h1-18,28H,19H2
InChIKeyJYCWQBMCERFTMY-UHFFFAOYSA-N
XLogP7.08
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-3-(4-phenylmethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole?
The IUPAC name of 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole (CID 139885625) is 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole.
What is the SMILES notation for 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole?
The canonical SMILES for 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole is c1ccc(COc2ccc(-c3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole?
The InChIKey is JYCWQBMCERFTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-3-9-20(10-4-1)19-29-23-17-15-21(16-18-23)26-24-13-7-8-14-25(24)28-27(26)22-11-5-2-6-12-22/h1-18,28H,19H2.
What are the key properties of 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole?
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole has a molecular weight of 375.47 g/mol, XLogP of 7.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole is sourced from PubChem (CID 139885625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).