3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole

C39H28N2 — CID 3116331

IUPAC3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2C(c2cccc3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C39H28N2/c1-3-15-27(16-4-1)38-36(31-21-9-11-24-33(31)40-38)35(30-23-13-19-26-14-7-8-20-29(26)30)37-32-22-10-12-25-34(32)41-39(37)28-17-5-2-6-18-28/h1-25,35,40-41H
InChIKeyYYULKLQNZCBQJW-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.32
Rot. Bonds5

About 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole

3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole (PubChem CID 3116331) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
PubChem CID3116331
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2C(c2cccc3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C39H28N2/c1-3-15-27(16-4-1)38-36(31-21-9-11-24-33(31)40-38)35(30-23-13-19-26-14-7-8-20-29(26)30)37-32-22-10-12-25-34(32)41-39(37)28-17-5-2-6-18-28/h1-25,35,40-41H
InChIKeyYYULKLQNZCBQJW-UHFFFAOYSA-N
XLogP10.32
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-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 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole (CID 3116331) is 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole is c1ccc(-c2[nH]c3ccccc3c2C(c2cccc3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
The InChIKey is YYULKLQNZCBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-3-15-27(16-4-1)38-36(31-21-9-11-24-33(31)40-38)35(30-23-13-19-26-14-7-8-20-29(26)30)37-32-22-10-12-25-34(32)41-39(37)28-17-5-2-6-18-28/h1-25,35,40-41H.
What are the key properties of 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole?
3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole has a molecular weight of 524.67 g/mol, XLogP of 10.32, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[naphthalen-1-yl-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole is sourced from PubChem (CID 3116331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).