tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

C80H93F7N12O8Si2 — CID 176540615

About tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 176540615) has the molecular formula C80H93F7N12O8Si2 and a molecular weight of 1539.86 g/mol. Its IUPAC name is tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 176540615
• Molecular Formula: C80H93F7N12O8Si2
• Molecular Weight: 1539.86 g/mol
• Exact Mass: 1538.67
• IUPAC Name: tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
• SMILES: CC1CCC(c2ccc(-c3ccc(-c4n[nH]c(C(F)(F)F)n4)cc3)cn2)CC1.CC1CCC(c2ccc(-c3ccc(-c4nc(C#CCF)n(COCC[Si](C)(C)C)n4)cc3)cn2)CC1.CC1CCC(c2ccc(-c3ccc(-c4nc(C(F)(F)F)nn4COCC[Si](C)(C)C)cc3)cn2)CC1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C29H37FN4OSi.C27H35F3N4OSi.C21H21F3N4.3CO2/c1-22-7-9-24(10-8-22)27-16-15-26(20-31-27)23-11-13-25(14-12-23)29-32-28(6-5-17-30)34(33-29)21-35-18-19-36(2,3)4;1-19-5-7-21(8-6-19)24-14-13-23(17-31-24)20-9-11-22(12-10-20)25-32-26(27(28,29)30)33-34(25)18-35-15-16-36(2,3)4;1-13-2-4-15(5-3-13)18-11-10-17(12-25-18)14-6-8-16(9-7-14)19-26-20(28-27-19)21(22,23)24;3*2-1-3/h11-16,20,22,24H,7-10,17-19,21H2,1-4H3;9-14,17,19,21H,5-8,15-16,18H2,1-4H3;6-13,15H,2-5H2,1H3,(H,26,27,28)
• InChIKey: DENTYJCGCJSEBD-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 262.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.86
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 176540615) is tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is CC1CCC(c2ccc(-c3ccc(-c4n[nH]c(C(F)(F)F)n4)cc3)cn2)CC1.CC1CCC(c2ccc(-c3ccc(-c4nc(C#CCF)n(COCC[Si](C)(C)C)n4)cc3)cn2)CC1.CC1CCC(c2ccc(-c3ccc(-c4nc(C(F)(F)F)nn4COCC[Si](C)(C)C)cc3)cn2)CC1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The InChIKey is DENTYJCGCJSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4OSi.C27H35F3N4OSi.C21H21F3N4.3CO2/c1-22-7-9-24(10-8-22)27-16-15-26(20-31-27)23-11-13-25(14-12-23)29-32-28(6-5-17-30)34(33-29)21-35-18-19-36(2,3)4;1-19-5-7-21(8-6-19)24-14-13-23(17-31-24)20-9-11-22(12-10-20)25-32-26(27(28,29)30)33-34(25)18-35-15-16-36(2,3)4;1-13-2-4-15(5-3-13)18-11-10-17(12-25-18)14-6-8-16(9-7-14)19-26-20(28-27-19)21(22,23)24;3*2-1-3/h11-16,20,22,24H,7-10,17-19,21H2,1-4H3;9-14,17,19,21H,5-8,15-16,18H2,1-4H3;6-13,15H,2-5H2,1H3,(H,26,27,28);;;.

What are the key properties of tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1539.86 g/mol, XLogP of 18.66, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);2-[[5-(3-fluoroprop-1-ynyl)-3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane;2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 176540615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).