1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole

C34H32N2O4 — CID 25140580

IUPAC1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
SMILESCOc1cc2c(-c3cn(Cc4ccccc4)c4cc(OC)c(OC)cc34)cn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C34H32N2O4/c1-37-31-15-25-27(21-35(29(25)17-33(31)39-3)19-23-11-7-5-8-12-23)28-22-36(20-24-13-9-6-10-14-24)30-18-34(40-4)32(38-2)16-26(28)30/h5-18,21-22H,19-20H2,1-4H3
InChIKeyJSZFLQZOYNVENN-UHFFFAOYSA-N
MW532.64 g/mol
LogP7.39
Rot. Bonds9

About 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole

1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole (PubChem CID 25140580) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole.

Molecular Properties

Compound Name1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
PubChem CID25140580
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC Name1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole
SMILESCOc1cc2c(-c3cn(Cc4ccccc4)c4cc(OC)c(OC)cc34)cn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C34H32N2O4/c1-37-31-15-25-27(21-35(29(25)17-33(31)39-3)19-23-11-7-5-8-12-23)28-22-36(20-24-13-9-6-10-14-24)30-18-34(40-4)32(38-2)16-26(28)30/h5-18,21-22H,19-20H2,1-4H3
InChIKeyJSZFLQZOYNVENN-UHFFFAOYSA-N
XLogP7.39
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole 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-benzyl-5,6-dimethoxyindole-3-carbaldehyde
CID 54532101
1-benzyl-3-(3,5-dimethoxyphenyl)indole
CID 66552988
1-benzyl-3-[2-(4-chlorophenyl)ethylsulfonyl]-6,7-dimethoxyquinolin-4-one
CID 53321991
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole;propanoic acid
CID 130234230
3-(4-chlorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2137214
1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
CID 74763463
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
4-(1-benzyl-6-methoxyindol-3-yl)-1,3-thiazol-2-amine
CID 2028696
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
3-(2-iodophenyl)-1-[(3-methoxyphenyl)methyl]indole
CID 11328100
2-benzyl-5,6-dimethoxyisoindole-1,3-dione
CID 91665603
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole?
The IUPAC name of 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole (CID 25140580) is 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole.
What is the SMILES notation for 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole?
The canonical SMILES for 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole is COc1cc2c(-c3cn(Cc4ccccc4)c4cc(OC)c(OC)cc34)cn(Cc3ccccc3)c2cc1OC.
What is the InChIKey of 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole?
The InChIKey is JSZFLQZOYNVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-37-31-15-25-27(21-35(29(25)17-33(31)39-3)19-23-11-7-5-8-12-23)28-22-36(20-24-13-9-6-10-14-24)30-18-34(40-4)32(38-2)16-26(28)30/h5-18,21-22H,19-20H2,1-4H3.
What are the key properties of 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole?
1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole has a molecular weight of 532.64 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-benzyl-5,6-dimethoxyindol-3-yl)-5,6-dimethoxyindole is sourced from PubChem (CID 25140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).