6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium

C123H150N4+4 — CID 159379464

About 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium

6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium (PubChem CID 159379464) has the molecular formula C123H150N4+4 and a molecular weight of 1684.58 g/mol. Its IUPAC name is 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium
• PubChem CID: 159379464
• Molecular Formula: C123H150N4+4
• Molecular Weight: 1684.58 g/mol
• Exact Mass: 1683.18
• IUPAC Name: 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium
• SMILES: Cc1c(-c2c3ccc(C4CCCCC4)cc3cc[n+]2C)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C2CCCCC2)cc(-c2c3ccc(C4CCCCC4)cc3cc[n+]2C)c1C.Cc1ccc(-c2ccccc2)cc1-c1c2ccc(C3CCCCC3)cc2cc[n+]1C.Cc1ccc(C2CCCCC2)cc1-c1c2ccc(C3CCCCC3)cc2cc[n+]1C
• InChI: InChI=1S/C35H46N.C30H38N.C29H36N.C29H30N/c1-25-33(28-16-10-5-11-17-28)23-31(27-14-8-4-9-15-27)24-34(25)35-32-19-18-29(26-12-6-3-7-13-26)22-30(32)20-21-36(35)2;1-21-18-27(24-12-8-5-9-13-24)20-29(22(21)2)30-28-15-14-25(23-10-6-4-7-11-23)19-26(28)16-17-31(30)3;2*1-21-13-14-25(23-11-7-4-8-12-23)20-28(21)29-27-16-15-24(22-9-5-3-6-10-22)19-26(27)17-18-30(29)2/h18-24,26-28H,3-17H2,1-2H3;14-20,23-24H,4-13H2,1-3H3;13-20,22-23H,3-12H2,1-2H3;4,7-8,11-20,22H,3,5-6,9-10H2,1-2H3/q4*+1
• InChIKey: UEIPQYDVBINDCM-UHFFFAOYSA-N
• XLogP: 32.92
• TPSA: 15.52 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1684.58
LogP ≤ 5	32.92
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 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium?

The IUPAC name of 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium (CID 159379464) is 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium.

What is the SMILES notation for 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium?

The canonical SMILES for 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium is Cc1c(-c2c3ccc(C4CCCCC4)cc3cc[n+]2C)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C2CCCCC2)cc(-c2c3ccc(C4CCCCC4)cc3cc[n+]2C)c1C.Cc1ccc(-c2ccccc2)cc1-c1c2ccc(C3CCCCC3)cc2cc[n+]1C.Cc1ccc(C2CCCCC2)cc1-c1c2ccc(C3CCCCC3)cc2cc[n+]1C.

What is the InChIKey of 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium?

The InChIKey is UEIPQYDVBINDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N.C30H38N.C29H36N.C29H30N/c1-25-33(28-16-10-5-11-17-28)23-31(27-14-8-4-9-15-27)24-34(25)35-32-19-18-29(26-12-6-3-7-13-26)22-30(32)20-21-36(35)2;1-21-18-27(24-12-8-5-9-13-24)20-29(22(21)2)30-28-15-14-25(23-10-6-4-7-11-23)19-26(28)16-17-31(30)3;2*1-21-13-14-25(23-11-7-4-8-12-23)20-28(21)29-27-16-15-24(22-9-5-3-6-10-22)19-26(27)17-18-30(29)2/h18-24,26-28H,3-17H2,1-2H3;14-20,23-24H,4-13H2,1-3H3;13-20,22-23H,3-12H2,1-2H3;4,7-8,11-20,22H,3,5-6,9-10H2,1-2H3/q4*+1.

What are the key properties of 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium?

6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium has a molecular weight of 1684.58 g/mol, XLogP of 32.92, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexyl-1-(5-cyclohexyl-2,3-dimethylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-1-(3,5-dicyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium;6-cyclohexyl-2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium is sourced from PubChem (CID 159379464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).