2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole

C20H20N2 — CID 12742686

IUPAC2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
SMILESCc1c(-c2c(C)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C20H20N2/c1-13-15-9-5-7-11-17(15)21(3)19(13)20-14(2)16-10-6-8-12-18(16)22(20)4/h5-12H,1-4H3
InChIKeyAUMRRQTUJFMFSV-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.95
Rot. Bonds1

About 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole

2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole (PubChem CID 12742686) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole.

Molecular Properties

Compound Name2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
PubChem CID12742686
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
SMILESCc1c(-c2c(C)c3ccccc3n2C)n(C)c2ccccc12
InChIInChI=1S/C20H20N2/c1-13-15-9-5-7-11-17(15)21(3)19(13)20-14(2)16-10-6-8-12-18(16)22(20)4/h5-12H,1-4H3
InChIKeyAUMRRQTUJFMFSV-UHFFFAOYSA-N
XLogP4.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole?
The IUPAC name of 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole (CID 12742686) is 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole.
What is the SMILES notation for 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole?
The canonical SMILES for 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole is Cc1c(-c2c(C)c3ccccc3n2C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole?
The InChIKey is AUMRRQTUJFMFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-15-9-5-7-11-17(15)21(3)19(13)20-14(2)16-10-6-8-12-18(16)22(20)4/h5-12H,1-4H3.
What are the key properties of 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole?
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole has a molecular weight of 288.39 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole is sourced from PubChem (CID 12742686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).