4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium

C146H172N5+5 — CID 161120439

About 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium

4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium (PubChem CID 161120439) has the molecular formula C146H172N5+5 and a molecular weight of 2001.04 g/mol. Its IUPAC name is 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium
• PubChem CID: 161120439
• Molecular Formula: C146H172N5+5
• Molecular Weight: 2001.04 g/mol
• Exact Mass: 1999.38
• IUPAC Name: 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium
• SMILES: Cc1ccccc1-c1cc(-c2ccc(C3C4CCCC3C4)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CC4CCC3(C)C4(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(CC3CC4CCC3(C)C4(C)C)c2)cc[n+]1C.[2H]C([2H])(c1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1)C1CC2CCC1(C)C2(C)C.[2H]C([2H])(c1cccc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1)C1CC2CCC1(C)C2(C)C
• InChI: InChI=1S/4C30H36N.C26H28N/c2*1-21-9-6-7-12-27(21)28-19-24(14-16-31(28)5)23-11-8-10-22(17-23)18-26-20-25-13-15-30(26,4)29(25,2)3;2*1-21-8-6-7-9-27(21)28-19-24(15-17-31(28)5)23-12-10-22(11-13-23)18-26-20-25-14-16-30(26,4)29(25,2)3;1-18-6-3-4-9-24(18)25-17-21(14-15-27(25)2)19-10-12-20(13-11-19)26-22-7-5-8-23(26)16-22/h2*6-12,14,16-17,19,25-26H,13,15,18,20H2,1-5H3;2*6-13,15,17,19,25-26H,14,16,18,20H2,1-5H3;3-4,6,9-15,17,22-23,26H,5,7-8,16H2,1-2H3/q5*+1/i18D2;;18D2
• InChIKey: OFBPEAFECZKHJE-MBWZHOHJSA-N
• XLogP: 34.69
• TPSA: 19.40 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2001.04
LogP ≤ 5	34.69
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-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium?

The IUPAC name of 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium (CID 161120439) is 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium.

What is the SMILES notation for 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium?

The canonical SMILES for 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium is Cc1ccccc1-c1cc(-c2ccc(C3C4CCCC3C4)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2ccc(CC3CC4CCC3(C)C4(C)C)cc2)cc[n+]1C.Cc1ccccc1-c1cc(-c2cccc(CC3CC4CCC3(C)C4(C)C)c2)cc[n+]1C.[2H]C([2H])(c1ccc(-c2cc[n+](C)c(-c3ccccc3C)c2)cc1)C1CC2CCC1(C)C2(C)C.[2H]C([2H])(c1cccc(-c2cc[n+](C)c(-c3ccccc3C)c2)c1)C1CC2CCC1(C)C2(C)C.

What is the InChIKey of 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium?

The InChIKey is OFBPEAFECZKHJE-MBWZHOHJSA-N. The full InChI is InChI=1S/4C30H36N.C26H28N/c2*1-21-9-6-7-12-27(21)28-19-24(14-16-31(28)5)23-11-8-10-22(17-23)18-26-20-25-13-15-30(26,4)29(25,2)3;2*1-21-8-6-7-9-27(21)28-19-24(15-17-31(28)5)23-12-10-22(11-13-23)18-26-20-25-14-16-30(26,4)29(25,2)3;1-18-6-3-4-9-24(18)25-17-21(14-15-27(25)2)19-10-12-20(13-11-19)26-22-7-5-8-23(26)16-22/h2*6-12,14,16-17,19,25-26H,13,15,18,20H2,1-5H3;2*6-13,15,17,19,25-26H,14,16,18,20H2,1-5H3;3-4,6,9-15,17,22-23,26H,5,7-8,16H2,1-2H3/q5*+1/i18D2;;18D2;;.

What are the key properties of 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium?

4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium has a molecular weight of 2001.04 g/mol, XLogP of 34.69, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-bicyclo[3.1.1]heptanyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[3-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-[4-[dideuterio-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]pyridin-1-ium is sourced from PubChem (CID 161120439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).