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

C30H24N2 — CID 132990308

IUPAC1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
SMILESc1ccc(Cn2cc(C(c3ccccc3)c3c[nH]c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C30H24N2/c1-3-11-22(12-4-1)20-32-21-27(25-16-8-10-18-29(25)32)30(23-13-5-2-6-14-23)26-19-31-28-17-9-7-15-24(26)28/h1-19,21,30-31H,20H2
InChIKeyAOAOHCYVLIMZAD-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.35
Rot. Bonds5

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

1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole (PubChem CID 132990308) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole.

Molecular Properties

Compound Name1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
PubChem CID132990308
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole
SMILESc1ccc(Cn2cc(C(c3ccccc3)c3c[nH]c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C30H24N2/c1-3-11-22(12-4-1)20-32-21-27(25-16-8-10-18-29(25)32)30(23-13-5-2-6-14-23)26-19-31-28-17-9-7-15-24(26)28/h1-19,21,30-31H,20H2
InChIKeyAOAOHCYVLIMZAD-UHFFFAOYSA-N
XLogP7.35
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]indole
CID 139526216
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-[(4-chlorophenyl)-[1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indol-3-yl]methyl]-1-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]indole
CID 44583476
1-ethyl-3-[1-(1H-indol-3-yl)-2-nitroethyl]indole
CID 15496000
1-(1-benzylpyrazol-4-yl)-1-(1H-indol-3-yl)-N,N-dimethylmethanamine
CID 110453329
1-benzyl-3-[(1-benzylindol-3-yl)-(5-methoxy-2-pyridinyl)methyl]indole
CID 10602364
(2R)-2-(1-benzylindol-3-yl)butanedioic acid
CID 802057

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole?
The IUPAC name of 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole (CID 132990308) is 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole.
What is the SMILES notation for 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole?
The canonical SMILES for 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole is c1ccc(Cn2cc(C(c3ccccc3)c3c[nH]c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole?
The InChIKey is AOAOHCYVLIMZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-3-11-22(12-4-1)20-32-21-27(25-16-8-10-18-29(25)32)30(23-13-5-2-6-14-23)26-19-31-28-17-9-7-15-24(26)28/h1-19,21,30-31H,20H2.
What are the key properties of 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole?
1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole has a molecular weight of 412.54 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1H-indol-3-yl(phenyl)methyl]indole is sourced from PubChem (CID 132990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).