6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole

C87H80N8+4 — CID 159902760

About 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole

6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole (PubChem CID 159902760) has the molecular formula C87H80N8+4 and a molecular weight of 1237.65 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole.

Molecular Properties

• Compound Name: 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
• PubChem CID: 159902760
• Molecular Formula: C87H80N8+4
• Molecular Weight: 1237.65 g/mol
• Exact Mass: 1236.65
• IUPAC Name: 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1cccc(C)c1n1c2cc[n+]1C.Cc1cccc2c3cc(-c4ccccc4)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3cc(C(C)C)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12
• InChI: InChI=1S/C25H23N2.C23H19N2.C20H21N2.C19H17N2/c1-16-7-5-8-17(2)24(16)19-11-12-20-22(15-19)21-10-6-9-18(3)25(21)27-23(20)13-14-26(27)4;1-16-7-6-10-20-21-15-18(17-8-4-3-5-9-17)11-12-19(21)22-13-14-24(2)25(22)23(16)20;1-13(2)15-8-9-16-18(12-15)17-7-5-6-14(3)20(17)22-19(16)10-11-21(22)4;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2/h5-15H,1-4H3;3-15H,1-2H3;5-13H,1-4H3;3-13H,1-2H3/q4*+1
• InChIKey: KZYIBJOBPRXRAA-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 33.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.65
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The IUPAC name of 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole (CID 159902760) is 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole.

What is the SMILES notation for 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The canonical SMILES for 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole is Cc1cccc(C)c1-c1ccc2c(c1)c1cccc(C)c1n1c2cc[n+]1C.Cc1cccc2c3cc(-c4ccccc4)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3cc(C(C)C)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3n(-c3cccc[n+]3C)c12.

What is the InChIKey of 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

The InChIKey is KZYIBJOBPRXRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.C23H19N2.C20H21N2.C19H17N2/c1-16-7-5-8-17(2)24(16)19-11-12-20-22(15-19)21-10-6-9-18(3)25(21)27-23(20)13-14-26(27)4;1-16-7-6-10-20-21-15-18(17-8-4-3-5-9-17)11-12-19(21)22-13-14-24(2)25(22)23(16)20;1-13(2)15-8-9-16-18(12-15)17-7-5-6-14(3)20(17)22-19(16)10-11-21(22)4;1-14-8-7-10-16-15-9-3-4-11-17(15)21(19(14)16)18-12-5-6-13-20(18)2/h5-15H,1-4H3;3-15H,1-2H3;5-13H,1-4H3;3-13H,1-2H3/q4*+1.

What are the key properties of 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole?

6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole has a molecular weight of 1237.65 g/mol, XLogP of 19.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole is sourced from PubChem (CID 159902760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).