1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole

C33H30N2 — CID 59307646

IUPAC1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole
SMILESCc1ccccc1-n1cc(C(C)(C)c2cn(-c3ccccc3C)c3ccccc23)c2ccccc21
InChIInChI=1S/C33H30N2/c1-23-13-5-9-17-29(23)34-21-27(25-15-7-11-19-31(25)34)33(3,4)28-22-35(30-18-10-6-14-24(30)2)32-20-12-8-16-26(28)32/h5-22H,1-4H3
InChIKeyUCAYNTUPCOFKEL-UHFFFAOYSA-N
MW454.62 g/mol
LogP8.52
Rot. Bonds4

About 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole

1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole (PubChem CID 59307646) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole
PubChem CID59307646
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole
SMILESCc1ccccc1-n1cc(C(C)(C)c2cn(-c3ccccc3C)c3ccccc23)c2ccccc21
InChIInChI=1S/C33H30N2/c1-23-13-5-9-17-29(23)34-21-27(25-15-7-11-19-31(25)34)33(3,4)28-22-35(30-18-10-6-14-24(30)2)32-20-12-8-16-26(28)32/h5-22H,1-4H3
InChIKeyUCAYNTUPCOFKEL-UHFFFAOYSA-N
XLogP8.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-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-[1-(2,5-dimethylphenyl)indol-3-yl]propan-2-ol
CID 156634893
1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole
CID 101473810
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597
1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole
CID 118371354
4-[3-[2-[1-(4-cyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
CID 70889128
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596
4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile
CID 59307652
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
(2S)-2-methyl-3-[1-(2-methylphenyl)indol-3-yl]propanoic acid
CID 1229817
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole
CID 59307578
2-methyl-2-(3-methylindol-1-yl)propanoic acid
CID 114989239

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole?
The IUPAC name of 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole (CID 59307646) is 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole is Cc1ccccc1-n1cc(C(C)(C)c2cn(-c3ccccc3C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole?
The InChIKey is UCAYNTUPCOFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-23-13-5-9-17-29(23)34-21-27(25-15-7-11-19-31(25)34)33(3,4)28-22-35(30-18-10-6-14-24(30)2)32-20-12-8-16-26(28)32/h5-22H,1-4H3.
What are the key properties of 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole?
1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole has a molecular weight of 454.62 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-[1-(2-methylphenyl)indol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 59307646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).