1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

C31H23F3N2 — CID 56851761

IUPAC1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C31H23F3N2/c32-31(33,34)28-8-4-7-23(17-28)21-36-16-14-25-10-12-27(19-30(25)36)26-11-9-24-13-15-35(29(24)18-26)20-22-5-2-1-3-6-22/h1-19H,20-21H2
InChIKeyLXMRWODMLKMCJD-UHFFFAOYSA-N
MW480.53 g/mol
LogP8.38
Rot. Bonds5

About 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole

1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (PubChem CID 56851761) has the molecular formula C31H23F3N2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
PubChem CID56851761
Molecular FormulaC31H23F3N2
Molecular Weight480.53 g/mol
Exact Mass480.18
IUPAC Name1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole
SMILESFC(F)(F)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1
InChIInChI=1S/C31H23F3N2/c32-31(33,34)28-8-4-7-23(17-28)21-36-16-14-25-10-12-27(19-30(25)36)26-11-9-24-13-15-35(29(24)18-26)20-22-5-2-1-3-6-22/h1-19H,20-21H2
InChIKeyLXMRWODMLKMCJD-UHFFFAOYSA-N
XLogP8.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]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 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The IUPAC name of 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole (CID 56851761) is 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole.
What is the SMILES notation for 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The canonical SMILES for 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is FC(F)(F)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)c1.
What is the InChIKey of 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
The InChIKey is LXMRWODMLKMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N2/c32-31(33,34)28-8-4-7-23(17-28)21-36-16-14-25-10-12-27(19-30(25)36)26-11-9-24-13-15-35(29(24)18-26)20-22-5-2-1-3-6-22/h1-19H,20-21H2.
What are the key properties of 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole?
1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole has a molecular weight of 480.53 g/mol, XLogP of 8.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]indole is sourced from PubChem (CID 56851761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).