1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

C135H142N4+4 — CID 161126377

About 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium

1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 161126377) has the molecular formula C135H142N4+4 and a molecular weight of 1823.67 g/mol. Its IUPAC name is 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
• PubChem CID: 161126377
• Molecular Formula: C135H142N4+4
• Molecular Weight: 1823.67 g/mol
• Exact Mass: 1822.14
• IUPAC Name: 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
• SMILES: Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CC1)c1ccccc1C2(C)C.Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CCCC1)c1ccccc1C2(C)C.Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CCCCC1)c1ccccc1C2(C)C.[2H]C([2H])([2H])C1(C)c2ccccc2C2(CCCC2)c2cc(-c3cc(-c4ccccc4C)[n+](C)cc3C)ccc21
• InChI: InChI=1S/C35H38N.2C34H36N.C32H32N/c1-24-13-7-8-14-27(24)33-22-28(25(2)23-36(33)5)26-17-18-30-32(21-26)35(19-11-6-12-20-35)31-16-10-9-15-29(31)34(30,3)4;2*1-23-12-6-7-13-26(23)32-21-27(24(2)22-35(32)5)25-16-17-29-31(20-25)34(18-10-11-19-34)30-15-9-8-14-28(30)33(29,3)4;1-21-10-6-7-11-24(21)30-19-25(22(2)20-33(30)5)23-14-15-27-29(18-23)32(16-17-32)28-13-9-8-12-26(28)31(27,3)4/h7-10,13-18,21-23H,6,11-12,19-20H2,1-5H3;2*6-9,12-17,20-22H,10-11,18-19H2,1-5H3;6-15,18-20H,16-17H2,1-5H3/q4*+1/i;3D3
• InChIKey: SAKOPWQATNLQGN-IRRNOYRMSA-N
• XLogP: 31.46
• TPSA: 15.52 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1823.67
LogP ≤ 5	31.46
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 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?

The IUPAC name of 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium (CID 161126377) is 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium.

What is the SMILES notation for 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?

The canonical SMILES for 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CC1)c1ccccc1C2(C)C.Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CCCC1)c1ccccc1C2(C)C.Cc1c[n+](C)c(-c2ccccc2C)cc1-c1ccc2c(c1)C1(CCCCC1)c1ccccc1C2(C)C.[2H]C([2H])([2H])C1(C)c2ccccc2C2(CCCC2)c2cc(-c3cc(-c4ccccc4C)[n+](C)cc3C)ccc21.

What is the InChIKey of 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?

The InChIKey is SAKOPWQATNLQGN-IRRNOYRMSA-N. The full InChI is InChI=1S/C35H38N.2C34H36N.C32H32N/c1-24-13-7-8-14-27(24)33-22-28(25(2)23-36(33)5)26-17-18-30-32(21-26)35(19-11-6-12-20-35)31-16-10-9-15-29(31)34(30,3)4;2*1-23-12-6-7-13-26(23)32-21-27(24(2)22-35(32)5)25-16-17-29-31(20-25)34(18-10-11-19-34)30-15-9-8-14-28(30)33(29,3)4;1-21-10-6-7-11-24(21)30-19-25(22(2)20-33(30)5)23-14-15-27-29(18-23)32(16-17-32)28-13-9-8-12-26(28)31(27,3)4/h7-10,13-18,21-23H,6,11-12,19-20H2,1-5H3;2*6-9,12-17,20-22H,10-11,18-19H2,1-5H3;6-15,18-20H,16-17H2,1-5H3/q4*+1/i;3D3;;.

What are the key properties of 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium?

1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium has a molecular weight of 1823.67 g/mol, XLogP of 31.46, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-2-(2-methylphenyl)-4-[10-methyl-10-(trideuteriomethyl)spiro[anthracene-9,1'-cyclopentane]-2-yl]pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclohexane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopentane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(10,10-dimethylspiro[anthracene-9,1'-cyclopropane]-2-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 161126377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).