4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C118H148N4Si4+4 — CID 157059803

About 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 157059803) has the molecular formula C118H148N4Si4+4 and a molecular weight of 1738.88 g/mol. Its IUPAC name is 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• PubChem CID: 157059803
• Molecular Formula: C118H148N4Si4+4
• Molecular Weight: 1738.88 g/mol
• Exact Mass: 1737.10
• IUPAC Name: 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• SMILES: [2H]c1c(C)[n+](C)c(-c2cc3c(cc2C)C2CCC3C2)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc3c(cc2C)C2CCC3CC2)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc3ccccc3cc2C)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c2c3c(cc(C4CC[Si](C)(C)CC4)cc13)C(C)(C)c1cccc(C)c1-2
• InChI: InChI=1S/C31H40NSi.C30H38NSi.C29H34NSi.C28H36NSi/c1-20-16-29-23-6-8-24(9-7-23)30(29)19-28(20)31-27-11-10-25(18-26(27)17-21(2)32(31)3)22-12-14-33(4,5)15-13-22;1-19-14-28-23-6-7-24(17-23)29(28)18-27(19)30-26-9-8-22(16-25(26)15-20(2)31(30)3)21-10-12-32(4,5)13-11-21;1-20-16-23-8-6-7-9-24(23)19-28(20)29-27-11-10-25(18-26(27)17-21(2)30(29)3)22-12-14-31(4,5)15-13-22;1-18-9-8-10-23-25(18)27-26-22(15-19(2)29(27)5)16-21(17-24(26)28(23,3)4)20-11-13-30(6,7)14-12-20/h10-11,16-19,22-24H,6-9,12-15H2,1-5H3;8-9,14-16,18,21,23-24H,6-7,10-13,17H2,1-5H3;6-11,16-19,22H,12-15H2,1-5H3;8-10,15-17,20H,11-14H2,1-7H3/q4*+1/i17D;15D;17D;15D
• InChIKey: YOTTYTMUNAMXQT-UGBXZNETSA-N
• XLogP: 31.05
• TPSA: 15.52 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1738.88
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The IUPAC name of 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 157059803) is 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

What is the SMILES notation for 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The canonical SMILES for 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is [2H]c1c(C)[n+](C)c(-c2cc3c(cc2C)C2CCC3C2)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc3c(cc2C)C2CCC3CC2)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c(-c2cc3ccccc3cc2C)c2ccc(C3CC[Si](C)(C)CC3)cc12.[2H]c1c(C)[n+](C)c2c3c(cc(C4CC[Si](C)(C)CC4)cc13)C(C)(C)c1cccc(C)c1-2.

What is the InChIKey of 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The InChIKey is YOTTYTMUNAMXQT-UGBXZNETSA-N. The full InChI is InChI=1S/C31H40NSi.C30H38NSi.C29H34NSi.C28H36NSi/c1-20-16-29-23-6-8-24(9-7-23)30(29)19-28(20)31-27-11-10-25(18-26(27)17-21(2)32(31)3)22-12-14-33(4,5)15-13-22;1-19-14-28-23-6-7-24(17-23)29(28)18-27(19)30-26-9-8-22(16-25(26)15-20(2)31(30)3)21-10-12-32(4,5)13-11-21;1-20-16-23-8-6-7-9-24(23)19-28(20)29-27-11-10-25(18-26(27)17-21(2)30(29)3)22-12-14-31(4,5)15-13-22;1-18-9-8-10-23-25(18)27-26-22(15-19(2)29(27)5)16-21(17-24(26)28(23,3)4)20-11-13-30(6,7)14-12-20/h10-11,16-19,22-24H,6-9,12-15H2,1-5H3;8-9,14-16,18,21,23-24H,6-7,10-13,17H2,1-5H3;6-11,16-19,22H,12-15H2,1-5H3;8-10,15-17,20H,11-14H2,1-7H3/q4*+1/i17D;15D;17D;15D.

What are the key properties of 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 1738.88 g/mol, XLogP of 31.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)isoquinolin-2-ium;4-deuterio-6-(1,1-dimethylsilinan-4-yl)-2,3-dimethyl-1-(5-methyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)isoquinolin-2-ium;14-deuterio-11-(1,1-dimethylsilinan-4-yl)-3,8,8,15,16-pentamethyl-16-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 157059803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).