4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole

C30H25N2+ — CID 123557838

About 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole

4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole (PubChem CID 123557838) has the molecular formula C30H25N2+ and a molecular weight of 413.54 g/mol. Its IUPAC name is 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole
• PubChem CID: 123557838
• Molecular Formula: C30H25N2+
• Molecular Weight: 413.54 g/mol
• Exact Mass: 413.20
• IUPAC Name: 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole
• SMILES: Cc1ccc2c(c1-c1cc(C)c3ccccc3[n+]1C)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C30H25N2/c1-20-17-18-27-30(24-14-8-10-16-26(24)32(27)22-11-5-4-6-12-22)29(20)28-19-21(2)23-13-7-9-15-25(23)31(28)3/h4-19H,1-3H3/q+1
• InChIKey: ZMHSZWFGCUGJRQ-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 8.81 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.54
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole?

The IUPAC name of 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole (CID 123557838) is 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole.

What is the SMILES notation for 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole?

The canonical SMILES for 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole is Cc1ccc2c(c1-c1cc(C)c3ccccc3[n+]1C)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole?

The InChIKey is ZMHSZWFGCUGJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N2/c1-20-17-18-27-30(24-14-8-10-16-26(24)32(27)22-11-5-4-6-12-22)29(20)28-19-21(2)23-13-7-9-15-25(23)31(28)3/h4-19H,1-3H3/q+1.

What are the key properties of 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole?

4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole has a molecular weight of 413.54 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,4-dimethylquinolin-1-ium-2-yl)-3-methyl-9-phenylcarbazole is sourced from PubChem (CID 123557838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).