3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole

C18H16N2 — CID 138706754

IUPAC3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole
SMILESCC1=CC=CC2C(C3=C(C)C4C=CC=CC4=N3)=CN=C12
InChIInChI=1S/C18H16N2/c1-11-6-5-8-14-15(10-19-17(11)14)18-12(2)13-7-3-4-9-16(13)20-18/h3-10,13-14H,1-2H3
InChIKeyNDGKSBYQARMCNF-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.93
Rot. Bonds1

About 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole

3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole (PubChem CID 138706754) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole.

Molecular Properties

Compound Name3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole
PubChem CID138706754
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole
SMILESCC1=CC=CC2C(C3=C(C)C4C=CC=CC4=N3)=CN=C12
InChIInChI=1S/C18H16N2/c1-11-6-5-8-14-15(10-19-17(11)14)18-12(2)13-7-3-4-9-16(13)20-18/h3-10,13-14H,1-2H3
InChIKeyNDGKSBYQARMCNF-UHFFFAOYSA-N
XLogP3.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole?
The IUPAC name of 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole (CID 138706754) is 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole.
What is the SMILES notation for 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole?
The canonical SMILES for 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole is CC1=CC=CC2C(C3=C(C)C4C=CC=CC4=N3)=CN=C12.
What is the InChIKey of 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole?
The InChIKey is NDGKSBYQARMCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-11-6-5-8-14-15(10-19-17(11)14)18-12(2)13-7-3-4-9-16(13)20-18/h3-10,13-14H,1-2H3.
What are the key properties of 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole?
3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole has a molecular weight of 260.34 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(7-methyl-3aH-indol-3-yl)-3aH-indole is sourced from PubChem (CID 138706754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).