1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole

C36H30N4 — CID 101081493

IUPAC1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole
SMILESCn1cc(-c2c(-c3c(-c4cn(C)c5ccccc45)n(C)c4ccccc34)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C36H30N4/c1-37-21-27(23-13-5-9-17-29(23)37)35-33(25-15-7-11-19-31(25)39(35)3)34-26-16-8-12-20-32(26)40(4)36(34)28-22-38(2)30-18-10-6-14-24(28)30/h5-22H,1-4H3
InChIKeyFGOBJHOUJWJXFA-UHFFFAOYSA-N
MW518.66 g/mol
LogP8.65
Rot. Bonds3

About 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole

1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole (PubChem CID 101081493) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole.

Molecular Properties

Compound Name1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole
PubChem CID101081493
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole
SMILESCn1cc(-c2c(-c3c(-c4cn(C)c5ccccc45)n(C)c4ccccc34)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C36H30N4/c1-37-21-27(23-13-5-9-17-29(23)37)35-33(25-15-7-11-19-31(25)39(35)3)34-26-16-8-12-20-32(26)40(4)36(34)28-22-38(2)30-18-10-6-14-24(28)30/h5-22H,1-4H3
InChIKeyFGOBJHOUJWJXFA-UHFFFAOYSA-N
XLogP8.65
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-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

Related Compounds

2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
1-Cyclohexyl-N-((1-(4-methylphenyl)-1H-indol-3-YL)methyl)methanamine
CID 16122612
NOP agonist-2
CID 129188443
1-methyl-N,N-dimethyltryptamine
CID 25927
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
(cyclohexylmethyl)[(1-phenyl-1H-indol-3-yl)methyl]amine
CID 24825442
1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
9-(9H-Carbazol-9-ylmethyl)-9H-carbazole
CID 231656
1,1,1-Tris(3-indolyl)methane
CID 254323

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole?
The IUPAC name of 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole (CID 101081493) is 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole.
What is the SMILES notation for 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole?
The canonical SMILES for 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole is Cn1cc(-c2c(-c3c(-c4cn(C)c5ccccc45)n(C)c4ccccc34)c3ccccc3n2C)c2ccccc21.
What is the InChIKey of 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole?
The InChIKey is FGOBJHOUJWJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-37-21-27(23-13-5-9-17-29(23)37)35-33(25-15-7-11-19-31(25)39(35)3)34-26-16-8-12-20-32(26)40(4)36(34)28-22-38(2)30-18-10-6-14-24(28)30/h5-22H,1-4H3.
What are the key properties of 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole?
1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole has a molecular weight of 518.66 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole is sourced from PubChem (CID 101081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).