1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium

C90H74N8O4+4 — CID 157492986

About 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium

1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium (PubChem CID 157492986) has the molecular formula C90H74N8O4+4 and a molecular weight of 1334.65 g/mol. Its IUPAC name is 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium.

Molecular Properties

• Compound Name: 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium
• PubChem CID: 157492986
• Molecular Formula: C90H74N8O4+4
• Molecular Weight: 1334.65 g/mol
• Exact Mass: 1333.60
• IUPAC Name: 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium
• SMILES: Cc1cc2c(oc3ccc4ccccc4c32)c(-c2cccn[n+]2C)c1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-n1ccc[n+]1C.Cc1cn[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.[2H]C([2H])([2H])c1cc(C)c(-c2cccn[n+]2C)c2oc3ccc4ccccc4c3c12
• InChI: InChI=1S/3C23H19N2O.C21H17N2O/c1-14-13-18-22-17-8-5-4-7-16(17)10-11-20(22)26-23(18)21(15(14)2)19-9-6-12-24-25(19)3;1-14-13-15(2)21-22-17-8-5-4-7-16(17)10-11-19(22)26-23(21)20(14)18-9-6-12-24-25(18)3;1-14-12-19(25(3)24-13-14)21-15(2)8-10-18-22-17-7-5-4-6-16(17)9-11-20(22)26-23(18)21;1-14-8-10-17-19-16-7-4-3-6-15(16)9-11-18(19)24-21(17)20(14)23-13-5-12-22(23)2/h3*4-13H,1-3H3;3-13H,1-2H3/q4*+1/i;2D3
• InChIKey: OJADQPPRFDGKHG-KUHFQXLVSA-N
• XLogP: 20.39
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.65
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium?

The IUPAC name of 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium (CID 157492986) is 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium.

What is the SMILES notation for 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium?

The canonical SMILES for 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium is Cc1cc2c(oc3ccc4ccccc4c32)c(-c2cccn[n+]2C)c1C.Cc1ccc2c(oc3ccc4ccccc4c32)c1-n1ccc[n+]1C.Cc1cn[n+](C)c(-c2c(C)ccc3c2oc2ccc4ccccc4c23)c1.[2H]C([2H])([2H])c1cc(C)c(-c2cccn[n+]2C)c2oc3ccc4ccccc4c3c12.

What is the InChIKey of 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium?

The InChIKey is OJADQPPRFDGKHG-KUHFQXLVSA-N. The full InChI is InChI=1S/3C23H19N2O.C21H17N2O/c1-14-13-18-22-17-8-5-4-7-16(17)10-11-20(22)26-23(18)21(15(14)2)19-9-6-12-24-25(19)3;1-14-13-15(2)21-22-17-8-5-4-7-16(17)10-11-19(22)26-23(21)20(14)18-9-6-12-24-25(18)3;1-14-12-19(25(3)24-13-14)21-15(2)8-10-18-22-17-7-5-4-6-16(17)9-11-20(22)26-23(18)21;1-14-8-10-17-19-16-7-4-3-6-15(16)9-11-18(19)24-21(17)20(14)23-13-5-12-22(23)2/h3*4-13H,1-3H3;3-13H,1-2H3/q4*+1/i;2D3;;.

What are the key properties of 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium?

1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium has a molecular weight of 1334.65 g/mol, XLogP of 20.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-6-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridazin-1-ium;6-(9,10-dimethylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methylpyridazin-1-ium;2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyrazol-2-ium;1-methyl-6-[9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran-8-yl]pyridazin-1-ium is sourced from PubChem (CID 157492986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).