1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium

C80H88N3+3 — CID 160943375

About 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium

1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium (PubChem CID 160943375) has the molecular formula C80H88N3+3 and a molecular weight of 1091.60 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium
• PubChem CID: 160943375
• Molecular Formula: C80H88N3+3
• Molecular Weight: 1091.60 g/mol
• Exact Mass: 1090.70
• IUPAC Name: 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium
• SMILES: Cc1ccccc1-c1cc(-c2ccc3c(c2)CC2(CCCC2)C3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)CC2(CCCCC2)C3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)CCC2(CCCC2)C3)cc[n+]1C
• InChI: InChI=1S/2C27H30N.C26H28N/c1-20-8-4-5-9-25(20)26-17-22(12-15-28(26)2)21-10-11-23-18-27(19-24(23)16-21)13-6-3-7-14-27;1-20-7-3-4-8-25(20)26-18-23(12-16-28(26)2)21-9-10-24-19-27(13-5-6-14-27)15-11-22(24)17-21;1-19-7-3-4-8-24(19)25-16-21(11-14-27(25)2)20-9-10-22-17-26(12-5-6-13-26)18-23(22)15-20/h4-5,8-12,15-17H,3,6-7,13-14,18-19H2,1-2H3;3-4,7-10,12,16-18H,5-6,11,13-15,19H2,1-2H3;3-4,7-11,14-16H,5-6,12-13,17-18H2,1-2H3/q3*+1
• InChIKey: VFFINXPZYALONI-UHFFFAOYSA-N
• XLogP: 18.22
• TPSA: 11.64 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.60
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium?

The IUPAC name of 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium (CID 160943375) is 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium.

What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium?

The canonical SMILES for 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium is Cc1ccccc1-c1cc(-c2ccc3c(c2)CC2(CCCC2)C3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)CC2(CCCCC2)C3)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc3c(c2)CCC2(CCCC2)C3)cc[n+]1C.

What is the InChIKey of 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium?

The InChIKey is VFFINXPZYALONI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30N.C26H28N/c1-20-8-4-5-9-25(20)26-17-22(12-15-28(26)2)21-10-11-23-18-27(19-24(23)16-21)13-6-3-7-14-27;1-20-7-3-4-8-25(20)26-18-23(12-16-28(26)2)21-9-10-24-19-27(13-5-6-14-27)15-11-22(24)17-21;1-19-7-3-4-8-24(19)25-16-21(11-14-27(25)2)20-9-10-22-17-26(12-5-6-13-26)18-23(22)15-20/h4-5,8-12,15-17H,3,6-7,13-14,18-19H2,1-2H3;3-4,7-10,12,16-18H,5-6,11,13-15,19H2,1-2H3;3-4,7-11,14-16H,5-6,12-13,17-18H2,1-2H3/q3*+1.

What are the key properties of 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium?

1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium has a molecular weight of 1091.60 g/mol, XLogP of 18.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium is sourced from PubChem (CID 160943375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).