4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C108H120N4+4 — CID 158742744

About 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium

4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 158742744) has the molecular formula C108H120N4+4 and a molecular weight of 1482.22 g/mol. Its IUPAC name is 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 158742744
• Molecular Formula: C108H120N4+4
• Molecular Weight: 1482.22 g/mol
• Exact Mass: 1481.00
• IUPAC Name: 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: [2H]C1([2H])CC2(CCCC2)Cc2ccc(-c3cc[n+](C)c(-c4ccccc4C)c3)cc21.[2H]C1([2H])c2cc(-c3cc[n+](C)c(-c4ccccc4C)c3)ccc2CC12CCCC2.[2H]C1([2H])c2cc(-c3cc[n+](C)c(-c4ccccc4C)c3)ccc2CC12CCCCC2.[2H]C1([2H])c2ccc(-c3c[n+](C)c(-c4ccccc4C)cc3C)cc2CC12CCCCC2
• InChI: InChI=1S/C28H32N.2C27H30N.C26H28N/c1-20-9-5-6-10-25(20)27-15-21(2)26(19-29(27)3)22-11-12-23-17-28(18-24(23)16-22)13-7-4-8-14-28;1-20-8-4-5-9-25(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/h5-6,9-12,15-16,19H,4,7-8,13-14,17-18H2,1-3H3;4-5,8-12,15-17H,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/q4*+1/i17D2;19D2;11D2;18D2
• InChIKey: UJKAIOKOEFXFGN-JTTOJDSZSA-N
• XLogP: 24.73
• TPSA: 15.52 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1482.22
LogP ≤ 5	24.73
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 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 158742744) is 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The canonical SMILES for 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is [2H]C1([2H])CC2(CCCC2)Cc2ccc(-c3cc[n+](C)c(-c4ccccc4C)c3)cc21.[2H]C1([2H])c2cc(-c3cc[n+](C)c(-c4ccccc4C)c3)ccc2CC12CCCC2.[2H]C1([2H])c2cc(-c3cc[n+](C)c(-c4ccccc4C)c3)ccc2CC12CCCCC2.[2H]C1([2H])c2ccc(-c3c[n+](C)c(-c4ccccc4C)cc3C)cc2CC12CCCCC2.

What is the InChIKey of 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

The InChIKey is UJKAIOKOEFXFGN-JTTOJDSZSA-N. The full InChI is InChI=1S/C28H32N.2C27H30N.C26H28N/c1-20-9-5-6-10-25(20)27-15-21(2)26(19-29(27)3)22-11-12-23-17-28(18-24(23)16-22)13-7-4-8-14-28;1-20-8-4-5-9-25(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/h5-6,9-12,15-16,19H,4,7-8,13-14,17-18H2,1-3H3;4-5,8-12,15-17H,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/q4*+1/i17D2;19D2;11D2;18D2.

What are the key properties of 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium?

4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1482.22 g/mol, XLogP of 24.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 158742744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).