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

C26H24N2 — CID 177441153

IUPAC1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
SMILESCc1ccccc1C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C26H24N2/c1-18-10-4-5-11-19(18)26(22-16-27(2)24-14-8-6-12-20(22)24)23-17-28(3)25-15-9-7-13-21(23)25/h4-17,26H,1-3H3
InChIKeyYQMIPWRNEGGRKN-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.16
Rot. Bonds3

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

1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole (PubChem CID 177441153) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
PubChem CID177441153
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
SMILESCc1ccccc1C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C26H24N2/c1-18-10-4-5-11-19(18)26(22-16-27(2)24-14-8-6-12-20(22)24)23-17-28(3)25-15-9-7-13-21(23)25/h4-17,26H,1-3H3
InChIKeyYQMIPWRNEGGRKN-UHFFFAOYSA-N
XLogP6.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole?
The IUPAC name of 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole (CID 177441153) is 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole.
What is the SMILES notation for 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole?
The canonical SMILES for 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole is Cc1ccccc1C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole?
The InChIKey is YQMIPWRNEGGRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-18-10-4-5-11-19(18)26(22-16-27(2)24-14-8-6-12-20(22)24)23-17-28(3)25-15-9-7-13-21(23)25/h4-17,26H,1-3H3.
What are the key properties of 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole?
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole has a molecular weight of 364.49 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole is sourced from PubChem (CID 177441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).