2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole

C25H22N2 — CID 134975119

IUPAC2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
SMILESCc1ccc(C(c2[nH]c3ccccc3c2C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-16-11-13-18(14-12-16)24(21-15-26-22-9-5-4-8-20(21)22)25-17(2)19-7-3-6-10-23(19)27-25/h3-15,24,26-27H,1-2H3
InChIKeyWYDXHRIQIYSAPG-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.45
Rot. Bonds3

About 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole

2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole (PubChem CID 134975119) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
PubChem CID134975119
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
SMILESCc1ccc(C(c2[nH]c3ccccc3c2C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-16-11-13-18(14-12-16)24(21-15-26-22-9-5-4-8-20(21)22)25-17(2)19-7-3-6-10-23(19)27-25/h3-15,24,26-27H,1-2H3
InChIKeyWYDXHRIQIYSAPG-UHFFFAOYSA-N
XLogP6.45
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[(4-bromophenyl)-(4-methylphenyl)sulfanylmethyl]-1H-indole
CID 102234751
3-[1H-indol-3-yl-(5-methyl-2-pyridinyl)methyl]-1H-indole
CID 154926412
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
CID 3705119
2-[1H-indol-3-yl-(4-phenylphenyl)methyl]-1H-indole
CID 86045351
6-fluoro-3-[(6-fluoro-1H-indol-3-yl)-(4-methylphenyl)methyl]-1H-indole
CID 132532870
3-propan-2-yl-1H-indole
CID 12534824
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
CID 155935017

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole (CID 134975119) is 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole is Cc1ccc(C(c2[nH]c3ccccc3c2C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole?
The InChIKey is WYDXHRIQIYSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-16-11-13-18(14-12-16)24(21-15-26-22-9-5-4-8-20(21)22)25-17(2)19-7-3-6-10-23(19)27-25/h3-15,24,26-27H,1-2H3.
What are the key properties of 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole?
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole has a molecular weight of 350.47 g/mol, XLogP of 6.45, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole is sourced from PubChem (CID 134975119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).