tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C80H97F9N12O12Si2 — CID 176547408

IUPACtris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cc[nH]c(=O)c1.Cc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccn4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H37F3N4O2Si.C22H32F3N3O2Si.C21H21F3N4O.C6H7NO.3CO2/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;22-21(23,24)18-12-27-20(28-18)16-8-9-17(26-11-16)15-6-4-14(5-7-15)13-29-19-3-1-2-10-25-19;1-5-2-3-7-6(8)4-5;3*2-1-3/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-3,8-12,14-15H,4-7,13H2,(H,27,28);2-4H,1H3,(H,7,8);;;
InChIKeyMIDNBRPKCMCPOL-UHFFFAOYSA-N
MW1645.88 g/mol
LogP17.05
Rot. Bonds23

About tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 176547408) has the molecular formula C80H97F9N12O12Si2 and a molecular weight of 1645.88 g/mol. Its IUPAC name is tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID176547408
Molecular FormulaC80H97F9N12O12Si2
Molecular Weight1645.88 g/mol
Exact Mass1644.67
IUPAC Nametris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cc[nH]c(=O)c1.Cc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccn4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C28H37F3N4O2Si.C22H32F3N3O2Si.C21H21F3N4O.C6H7NO.3CO2/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;22-21(23,24)18-12-27-20(28-18)16-8-9-17(26-11-16)15-6-4-14(5-7-15)13-29-19-3-1-2-10-25-19;1-5-2-3-7-6(8)4-5;3*2-1-3/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-3,8-12,14-15H,4-7,13H2,(H,27,28);2-4H,1H3,(H,7,8);;;
InChIKeyMIDNBRPKCMCPOL-UHFFFAOYSA-N
XLogP17.05
TPSA321.20 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.88
LogP ≤ 517.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 176547408) is tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(C2CCC(CO)CC2)nc1.Cc1cc[nH]c(=O)c1.Cc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.FC(F)(F)c1cnc(-c2ccc(C3CCC(COc4ccccn4)CC3)nc2)[nH]1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is MIDNBRPKCMCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N4O2Si.C22H32F3N3O2Si.C21H21F3N4O.C6H7NO.3CO2/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4;1-31(2,3)11-10-30-15-28-13-20(22(23,24)25)27-21(28)18-8-9-19(26-12-18)17-6-4-16(14-29)5-7-17;22-21(23,24)18-12-27-20(28-18)16-8-9-17(26-11-16)15-6-4-14(5-7-15)13-29-19-3-1-2-10-25-19;1-5-2-3-7-6(8)4-5;3*2-1-3/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3;8-9,12-13,16-17,29H,4-7,10-11,14-15H2,1-3H3;1-3,8-12,14-15H,4-7,13H2,(H,27,28);2-4H,1H3,(H,7,8);;;.
What are the key properties of tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1645.88 g/mol, XLogP of 17.05, 23 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);4-methyl-1H-pyridin-2-one;2-[4-(pyridin-2-yloxymethyl)cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine;[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol;trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 176547408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).