3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium

C120H110N12+6 — CID 158824336

About 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium

3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium (PubChem CID 158824336) has the molecular formula C120H110N12+6 and a molecular weight of 1720.28 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium
• PubChem CID: 158824336
• Molecular Formula: C120H110N12+6
• Molecular Weight: 1720.28 g/mol
• Exact Mass: 1718.89
• IUPAC Name: 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium
• SMILES: Cc1cccc(C)c1-c1c[n+](C)n2c3c(C)cccc3c3ccccc3c12.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(C)c(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3c(C)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12
• InChI: InChI=1S/C25H23N2.C23H19N2.C19H19N2.2C18H17N2.C17H15N2/c1-16-9-7-10-17(2)23(16)22-15-26(4)27-24-18(3)11-8-14-20(24)19-12-5-6-13-21(19)25(22)27;1-16-9-8-14-19-18-12-6-7-13-20(18)23-21(17-10-4-3-5-11-17)15-24(2)25(23)22(16)19;1-12-8-7-11-16-15-9-5-6-10-17(15)19-13(2)14(3)20(4)21(19)18(12)16;1-12-7-6-10-16-14-8-4-5-9-15(14)18-13(2)11-19(3)20(18)17(12)16;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-13(2)19(3)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15/h5-15H,1-4H3;3-15H,1-2H3;5-11H,1-4H3;2*4-11H,1-3H3;3-11H,1-2H3/q6*+1
• InChIKey: VFUGIKDRRGPYKM-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 51.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1720.28
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?

The IUPAC name of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium (CID 158824336) is 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?

The canonical SMILES for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium is Cc1cccc(C)c1-c1c[n+](C)n2c3c(C)cccc3c3ccccc3c12.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(C)c(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3c(C)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.

What is the InChIKey of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?

The InChIKey is VFUGIKDRRGPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.C23H19N2.C19H19N2.2C18H17N2.C17H15N2/c1-16-9-7-10-17(2)23(16)22-15-26(4)27-24-18(3)11-8-14-20(24)19-12-5-6-13-21(19)25(22)27;1-16-9-8-14-19-18-12-6-7-13-20(18)23-21(17-10-4-3-5-11-17)15-24(2)25(23)22(16)19;1-12-8-7-11-16-15-9-5-6-10-17(15)19-13(2)14(3)20(4)21(19)18(12)16;1-12-7-6-10-16-14-8-4-5-9-15(14)18-13(2)11-19(3)20(18)17(12)16;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-13(2)19(3)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15/h5-15H,1-4H3;3-15H,1-2H3;5-11H,1-4H3;2*4-11H,1-3H3;3-11H,1-2H3/q6*+1.

What are the key properties of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?

3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium has a molecular weight of 1720.28 g/mol, XLogP of 25.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium;1,3,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium is sourced from PubChem (CID 158824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).