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

C34H27N5+2 — CID 90380735

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

5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole (PubChem CID 90380735) has the molecular formula C34H27N5+2 and a molecular weight of 505.63 g/mol. Its IUPAC name is 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole
• PubChem CID: 90380735
• Molecular Formula: C34H27N5+2
• Molecular Weight: 505.63 g/mol
• Exact Mass: 505.23
• IUPAC Name: 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole
• SMILES: C[n+]1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-n3cc[n+](C)c3)cc2)cc1
• InChI: InChI=1S/C34H27N5/c1-35-17-15-26(16-18-35)39-32-10-6-4-8-28(32)30-21-33-29(22-34(30)39)27-7-3-5-9-31(27)38(33)25-13-11-24(12-14-25)37-20-19-36(2)23-37/h3-23H,1-2H3/q+2
• InChIKey: CQARVLMSCXRDPL-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 22.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.63
LogP ≤ 5	6.32
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-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole?

The IUPAC name of 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole (CID 90380735) is 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole.

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

The canonical SMILES for 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole is C[n+]1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-n3cc[n+](C)c3)cc2)cc1.

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

The InChIKey is CQARVLMSCXRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5/c1-35-17-15-26(16-18-35)39-32-10-6-4-8-28(32)30-21-33-29(22-34(30)39)27-7-3-5-9-31(27)38(33)25-13-11-24(12-14-25)37-20-19-36(2)23-37/h3-23H,1-2H3/q+2.

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

5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole has a molecular weight of 505.63 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(3-methylimidazol-3-ium-1-yl)phenyl]-11-(1-methylpyridin-1-ium-4-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 90380735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).