5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole

C26H23N4+ — CID 149381737

About 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole

5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole (PubChem CID 149381737) has the molecular formula C26H23N4+ and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole.

Molecular Properties

• Compound Name: 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole
• PubChem CID: 149381737
• Molecular Formula: C26H23N4+
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.19
• IUPAC Name: 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole
• SMILES: Cc1n(-c2ccccc2)cc(-n2c3ccccc3c3c4ccccc4n(C)c32)[n+]1C
• InChI: InChI=1S/C26H23N4/c1-18-27(2)24(17-29(18)19-11-5-4-6-12-19)30-23-16-10-8-14-21(23)25-20-13-7-9-15-22(20)28(3)26(25)30/h4-17H,1-3H3/q+1
• InChIKey: TVPHZHRKLRSAQB-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 18.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole?

The IUPAC name of 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole (CID 149381737) is 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole.

What is the SMILES notation for 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole?

The canonical SMILES for 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole is Cc1n(-c2ccccc2)cc(-n2c3ccccc3c3c4ccccc4n(C)c32)[n+]1C.

What is the InChIKey of 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole?

The InChIKey is TVPHZHRKLRSAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N4/c1-18-27(2)24(17-29(18)19-11-5-4-6-12-19)30-23-16-10-8-14-21(23)25-20-13-7-9-15-22(20)28(3)26(25)30/h4-17H,1-3H3/q+1.

What are the key properties of 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole?

5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole has a molecular weight of 391.50 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethyl-1-phenylimidazol-3-ium-4-yl)-6-methylindolo[2,3-b]indole is sourced from PubChem (CID 149381737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).