1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

C31H26N2O — CID 56851730

IUPAC1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C31H26N2O/c1-34-29-13-7-24(8-14-29)22-33-18-16-26-10-12-28(20-31(26)33)27-11-9-25-15-17-32(30(25)19-27)21-23-5-3-2-4-6-23/h2-20H,21-22H2,1H3
InChIKeyFVKXEUBGLUEKFS-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.37
Rot. Bonds6

About 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole

1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (PubChem CID 56851730) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
PubChem CID56851730
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1
InChIInChI=1S/C31H26N2O/c1-34-29-13-7-24(8-14-29)22-33-18-16-26-10-12-28(20-31(26)33)27-11-9-25-15-17-32(30(25)19-27)21-23-5-3-2-4-6-23/h2-20H,21-22H2,1H3
InChIKeyFVKXEUBGLUEKFS-UHFFFAOYSA-N
XLogP7.37
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-6-[1-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole (CID 56851730) is 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccccc6)c5c4)cc32)cc1.
What is the InChIKey of 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
The InChIKey is FVKXEUBGLUEKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c1-34-29-13-7-24(8-14-29)22-33-18-16-26-10-12-28(20-31(26)33)27-11-9-25-15-17-32(30(25)19-27)21-23-5-3-2-4-6-23/h2-20H,21-22H2,1H3.
What are the key properties of 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole?
1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole has a molecular weight of 442.56 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).