3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane

C125H122N8O4Si3+4 — CID 163552578

About 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane

3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane (PubChem CID 163552578) has the molecular formula C125H122N8O4Si3+4 and a molecular weight of 1904.78 g/mol. Its IUPAC name is 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

• Compound Name: 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane
• PubChem CID: 163552578
• Molecular Formula: C125H122N8O4Si3+4
• Molecular Weight: 1904.78 g/mol
• Exact Mass: 1903.01
• IUPAC Name: 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc(C)c(C5CCCCC5)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc([Si](C)(C)C)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc([Si](C)(C)C)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4ccc([Si](C)(C)C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H]
• InChI: InChI=1S/C34H33N2O.C31H31N2OSi.2C30H29N2OSi/c1-21-16-17-26-27-18-19-28(35-4)32(25-14-10-7-11-15-25)34(27)37-33(26)31(21)29-20-22(2)30(23(3)36(29)5)24-12-8-6-9-13-24;1-19-14-15-23-24-16-17-25(32-4)29(22-12-10-9-11-13-22)31(24)34-30(23)28(19)26-18-27(35(6,7)8)20(2)21(3)33(26)5;1-19-13-14-23-24-15-16-25(31-3)28(21-11-9-8-10-12-21)30(24)33-29(23)27(19)26-18-22(34(5,6)7)17-20(2)32(26)4;1-19-13-14-22-23-15-16-24(31-3)28(21-11-9-8-10-12-21)30(23)33-29(22)27(19)25-17-18-26(34(5,6)7)20(2)32(25)4/h7,10-11,14-20,24H,6,8-9,12-13H2,1-3,5H3;9-18H,1-3,5-8H3;2*8-18H,1-2,4-7H3/q4*+1/i7D,10D,11D,14D,15D;9D,10D,11D,12D,13D;2*8D,9D,10D,11D,12D
• InChIKey: MHZFYVRYAOKJOR-TWYQCWHZSA-N
• XLogP: 31.95
• TPSA: 85.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1904.78
LogP ≤ 5	31.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane?

The IUPAC name of 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane (CID 163552578) is 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane.

What is the SMILES notation for 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane?

The canonical SMILES for 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane is [2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc(C)c(C5CCCCC5)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc([Si](C)(C)C)c(C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4cc([Si](C)(C)C)cc(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c([N+]#[C-])ccc3c2oc2c(-c4ccc([Si](C)(C)C)c(C)[n+]4C)c(C)ccc23)c([2H])c1[2H].

What is the InChIKey of 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane?

The InChIKey is MHZFYVRYAOKJOR-TWYQCWHZSA-N. The full InChI is InChI=1S/C34H33N2O.C31H31N2OSi.2C30H29N2OSi/c1-21-16-17-26-27-18-19-28(35-4)32(25-14-10-7-11-15-25)34(27)37-33(26)31(21)29-20-22(2)30(23(3)36(29)5)24-12-8-6-9-13-24;1-19-14-15-23-24-16-17-25(32-4)29(22-12-10-9-11-13-22)31(24)34-30(23)28(19)26-18-27(35(6,7)8)20(2)21(3)33(26)5;1-19-13-14-23-24-15-16-25(31-3)28(21-11-9-8-10-12-21)30(24)33-29(23)27(19)26-18-22(34(5,6)7)17-20(2)32(26)4;1-19-13-14-22-23-15-16-24(31-3)28(21-11-9-8-10-12-21)30(23)33-29(22)27(19)25-17-18-26(34(5,6)7)20(2)32(25)4/h7,10-11,14-20,24H,6,8-9,12-13H2,1-3,5H3;9-18H,1-3,5-8H3;2*8-18H,1-2,4-7H3/q4*+1/i7D,10D,11D,14D,15D;9D,10D,11D,12D,13D;2*8D,9D,10D,11D,12D.

What are the key properties of 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane?

3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane has a molecular weight of 1904.78 g/mol, XLogP of 31.95, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,4-trimethylpyridin-1-ium;[2-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,6-dimethylpyridin-1-ium-4-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2-dimethylpyridin-1-ium-3-yl]-trimethylsilane;[6-[7-isocyano-3-methyl-6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-1,2,3-trimethylpyridin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 163552578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).