bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium

C181H208N7O7+7 — CID 158249976

About bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium

bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium (PubChem CID 158249976) has the molecular formula C181H208N7O7+7 and a molecular weight of 2593.70 g/mol. Its IUPAC name is bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium.

Molecular Properties

• Compound Name: bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium
• PubChem CID: 158249976
• Molecular Formula: C181H208N7O7+7
• Molecular Weight: 2593.70 g/mol
• Exact Mass: 2591.61
• IUPAC Name: bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium
• SMILES: Cc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3)cc[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3)cc[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C2.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C21CCCC1.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C21CCCCC1.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC1(CCCCC1)C2
• InChI: InChI=1S/2C31H38NO.C26H30NO.C25H28NO.C24H26NO.C23H26NO.C21H22NO/c2*1-21-12-17-26-29(33-31(4,5)30(26,2)3)28(21)27-20-25(18-19-32(27)6)24-15-13-23(14-16-24)22-10-8-7-9-11-22;1-18-12-14-20-24(28-25(2,3)26(20)16-8-5-9-17-26)23(18)22-15-13-19-10-6-7-11-21(19)27(22)4;1-17-11-13-19-23(27-24(2,3)25(19)15-7-8-16-25)22(17)21-14-12-18-9-5-6-10-20(18)26(21)4;1-17-10-11-19-16-24(14-6-3-7-15-24)26-23(19)22(17)21-13-12-18-8-4-5-9-20(18)25(21)2;1-15-11-13-17-21(25-23(4,5)22(17,2)3)20(15)19-14-12-16-9-7-8-10-18(16)24(19)6;1-14-9-10-16-13-21(2,3)23-20(16)19(14)18-12-11-15-7-5-6-8-17(15)22(18)4/h2*12-20,22H,7-11H2,1-6H3;6-7,10-15H,5,8-9,16-17H2,1-4H3;5-6,9-14H,7-8,15-16H2,1-4H3;4-5,8-13H,3,6-7,14-16H2,1-2H3;7-14H,1-6H3;5-12H,13H2,1-4H3/q7*+1
• InChIKey: JJCGVUZFDUOORM-UHFFFAOYSA-N
• XLogP: 41.65
• TPSA: 91.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2593.70
LogP ≤ 5	41.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium?

The IUPAC name of bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium (CID 158249976) is bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium.

What is the SMILES notation for bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium?

The canonical SMILES for bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium is Cc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3)cc[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1cc(-c3ccc(C4CCCCC4)cc3)cc[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C2.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C2(C)C.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C21CCCC1.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC(C)(C)C21CCCCC1.Cc1ccc2c(c1-c1ccc3ccccc3[n+]1C)OC1(CCCCC1)C2.

What is the InChIKey of bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium?

The InChIKey is JJCGVUZFDUOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H38NO.C26H30NO.C25H28NO.C24H26NO.C23H26NO.C21H22NO/c2*1-21-12-17-26-29(33-31(4,5)30(26,2)3)28(21)27-20-25(18-19-32(27)6)24-15-13-23(14-16-24)22-10-8-7-9-11-22;1-18-12-14-20-24(28-25(2,3)26(20)16-8-5-9-17-26)23(18)22-15-13-19-10-6-7-11-21(19)27(22)4;1-17-11-13-19-23(27-24(2,3)25(19)15-7-8-16-25)22(17)21-14-12-18-9-5-6-10-20(18)26(21)4;1-17-10-11-19-16-24(14-6-3-7-15-24)26-23(19)22(17)21-13-12-18-8-4-5-9-20(18)25(21)2;1-15-11-13-17-21(25-23(4,5)22(17,2)3)20(15)19-14-12-16-9-7-8-10-18(16)24(19)6;1-14-9-10-16-13-21(2,3)23-20(16)19(14)18-12-11-15-7-5-6-8-17(15)22(18)4/h2*12-20,22H,7-11H2,1-6H3;6-7,10-15H,5,8-9,16-17H2,1-4H3;5-6,9-14H,7-8,15-16H2,1-4H3;4-5,8-13H,3,6-7,14-16H2,1-2H3;7-14H,1-6H3;5-12H,13H2,1-4H3/q7*+1.

What are the key properties of bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium?

bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium has a molecular weight of 2593.70 g/mol, XLogP of 41.65, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(4-cyclohexylphenyl)-1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)pyridin-1-ium);1-methyl-2-(6-methylspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,3,3,6-pentamethyl-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethyl-3H-1-benzofuran-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclohexane]-7-yl)quinolin-1-ium;1-methyl-2-(2,2,6-trimethylspiro[1-benzofuran-3,1'-cyclopentane]-7-yl)quinolin-1-ium is sourced from PubChem (CID 158249976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).