1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium

C104H100N8+4 — CID 158210783

About 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium

1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium (PubChem CID 158210783) has the molecular formula C104H100N8+4 and a molecular weight of 1462.00 g/mol. Its IUPAC name is 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium.

Molecular Properties

• Compound Name: 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium
• PubChem CID: 158210783
• Molecular Formula: C104H100N8+4
• Molecular Weight: 1462.00 g/mol
• Exact Mass: 1460.80
• IUPAC Name: 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium
• SMILES: Cc1cccc2c1-n1c(c(-c3ccccc3)c(-c3ccccc3)[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c1-n1c(cc(-c3ccccc3)[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c(-c4ccccc4)[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(-c4ccccc4)[n+](C)n3c12
• InChI: InChI=1S/C29H23N2.C29H31N2.C23H19N2.C23H27N2/c1-20-12-11-19-24-23-17-9-10-18-25(23)29-26(21-13-5-3-6-14-21)28(22-15-7-4-8-16-22)30(2)31(29)27(20)24;1-20-14-13-19-23-25(20)31-27(29(4,5)28(23,2)3)24(21-15-9-7-10-16-21)26(30(31)6)22-17-11-8-12-18-22;1-16-9-8-14-20-18-12-6-7-13-19(18)22-15-21(17-10-4-3-5-11-17)24(2)25(22)23(16)20;1-16-11-10-14-18-21(16)25-20(23(4,5)22(18,2)3)15-19(24(25)6)17-12-8-7-9-13-17/h3-19H,1-2H3;7-19H,1-6H3;3-15H,1-2H3;7-15H,1-6H3/q4*+1
• InChIKey: FYPCIVDAMHQNQV-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 34.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1462.00
LogP ≤ 5	23.12
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 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium?

The IUPAC name of 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium (CID 158210783) is 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium.

What is the SMILES notation for 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium?

The canonical SMILES for 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium is Cc1cccc2c1-n1c(c(-c3ccccc3)c(-c3ccccc3)[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c1-n1c(cc(-c3ccccc3)[n+]1C)C(C)(C)C2(C)C.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c(-c4ccccc4)[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(-c4ccccc4)[n+](C)n3c12.

What is the InChIKey of 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium?

The InChIKey is FYPCIVDAMHQNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N2.C29H31N2.C23H19N2.C23H27N2/c1-20-12-11-19-24-23-17-9-10-18-25(23)29-26(21-13-5-3-6-14-21)28(22-15-7-4-8-16-22)30(2)31(29)27(20)24;1-20-14-13-19-23-25(20)31-27(29(4,5)28(23,2)3)24(21-15-9-7-10-16-21)26(30(31)6)22-17-11-8-12-18-22;1-16-9-8-14-20-18-12-6-7-13-19(18)22-15-21(17-10-4-3-5-11-17)24(2)25(22)23(16)20;1-16-11-10-14-18-21(16)25-20(23(4,5)22(18,2)3)15-19(24(25)6)17-12-8-7-9-13-17/h3-19H,1-2H3;7-19H,1-6H3;3-15H,1-2H3;7-15H,1-6H3/q4*+1.

What are the key properties of 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium?

1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium has a molecular weight of 1462.00 g/mol, XLogP of 23.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,11-dimethyl-2,3-diphenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,4,4,5,5,9-hexamethyl-2,3-diphenylpyrazolo[1,5-a]quinolin-1-ium;1,4,4,5,5,9-hexamethyl-2-phenylpyrazolo[1,5-a]quinolin-1-ium is sourced from PubChem (CID 158210783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).