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

C78H91F9N12O8Si2 — CID 176533648

About tris(carbon dioxide);2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 176533648) has the molecular formula C78H91F9N12O8Si2 and a molecular weight of 1551.82 g/mol. Its IUPAC name is tris(carbon dioxide);2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 176533648
• Molecular Formula: C78H91F9N12O8Si2
• Molecular Weight: 1551.82 g/mol
• Exact Mass: 1550.65
• IUPAC Name: tris(carbon dioxide);2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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(F)(F)F)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/2C27H35F3N4OSi.C21H21F3N4.3CO2/c1-19-5-7-21(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;1-19-5-7-21(8-6-19)24-14-13-23(17-31-24)20-9-11-22(12-10-20)25-32-26(27(28,29)30)34(33-25)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/h2*9-14,17,19,21H,5-8,15-16,18H2,1-4H3;6-13,15H,2-5H2,1H3,(H,26,27,28)
• InChIKey: BBZAKBQNHYESDK-UHFFFAOYSA-N
• XLogP: 19.36
• 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	1551.82
LogP ≤ 5	19.36
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'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 176533648) is tris(carbon dioxide);2-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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(F)(F)F)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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The InChIKey is BBZAKBQNHYESDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H35F3N4OSi.C21H21F3N4.3CO2/c1-19-5-7-21(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;1-19-5-7-21(8-6-19)24-14-13-23(17-31-24)20-9-11-22(12-10-20)25-32-26(27(28,29)30)34(33-25)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/h2*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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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 1551.82 g/mol, XLogP of 19.36, 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-(4-methylcyclohexyl)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[6-(4-methylcyclohexyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;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 176533648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).