5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole

C37H27N6+ — CID 130181763

About 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole

5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 130181763) has the molecular formula C37H27N6+ and a molecular weight of 555.67 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole
• PubChem CID: 130181763
• Molecular Formula: C37H27N6+
• Molecular Weight: 555.67 g/mol
• Exact Mass: 555.23
• IUPAC Name: 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole
• SMILES: C[n+]1ccn(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-n4ccnc4)cc3)cc2)c1
• InChI: InChI=1S/C37H27N6/c1-39-20-21-41(25-39)27-12-16-29(17-13-27)43-35-9-5-3-7-31(35)33-22-36-32(23-37(33)43)30-6-2-4-8-34(30)42(36)28-14-10-26(11-15-28)40-19-18-38-24-40/h2-25H,1H3/q+1
• InChIKey: WDRVIIBCALTGCK-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 36.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.67
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole?

The IUPAC name of 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole (CID 130181763) is 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole?

The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole is C[n+]1ccn(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-n4ccnc4)cc3)cc2)c1.

What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole?

The InChIKey is WDRVIIBCALTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N6/c1-39-20-21-41(25-39)27-12-16-29(17-13-27)43-35-9-5-3-7-31(35)33-22-36-32(23-37(33)43)30-6-2-4-8-34(30)42(36)28-14-10-26(11-15-28)40-19-18-38-24-40/h2-25H,1H3/q+1.

What are the key properties of 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole?

5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 555.67 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-imidazol-1-ylphenyl)-11-[4-(3-methylimidazol-3-ium-1-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 130181763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).