[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol

C35H43F12MoNO2 — CID 11083392

IUPAC[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol
SMILESCC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(C[C@H]1CCC[C@@H]1CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14F12O2.C12H17N.C10H12.Mo/c14-10(15,16)8(26,11(17,18)19)4-6-2-1-3-7(6)5-9(27,12(20,21)22)13(23,24)25;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;/h6-7,26-27H,1-5H2;5-9H,1-4H3;1,4-8H,2-3H3;/t6-,7-;;;/m1.../s1
InChIKeyGROUZWAGSJLLBW-YFJLMHTMSA-N
MW833.65 g/mol
LogP11.51
Rot. Bonds9

About [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol (PubChem CID 11083392) has the molecular formula C35H43F12MoNO2 and a molecular weight of 833.65 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol
PubChem CID11083392
Molecular FormulaC35H43F12MoNO2
Molecular Weight833.65 g/mol
Exact Mass835.22
IUPAC Name[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol
SMILESCC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(C[C@H]1CCC[C@@H]1CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14F12O2.C12H17N.C10H12.Mo/c14-10(15,16)8(26,11(17,18)19)4-6-2-1-3-7(6)5-9(27,12(20,21)22)13(23,24)25;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;/h6-7,26-27H,1-5H2;5-9H,1-4H3;1,4-8H,2-3H3;/t6-,7-;;;/m1.../s1
InChIKeyGROUZWAGSJLLBW-YFJLMHTMSA-N
XLogP11.51
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.65
LogP ≤ 511.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol with MolForge

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Related Compounds

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol
CID 59641353
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2-methylpropan-2-amine;bis(2,3,4,5,6-pentafluorophenol)
CID 10952944
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
CID 10996131
1,1-difluoroethene;1-(2,2-difluoroethenoxy)butane;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1-ethenoxybutane;methane;2-methylpropan-2-ol;1,1,2,2-tetrafluoroethene;1,1,1-trifluoro-2-methylpropan-2-ol
CID 159474985
2,5-dimethyl-1H-pyrrole;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;2,3,5,6-tetraphenylphenol
CID 171991239
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 10996132
(2R)-2,5-dimethyl-2,3-dihydropyrrol-1-ide;2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;bis(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 158996686
tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 161383120
carbanide;2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylpyrrol-1-ide);bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);methane;tris(2-methoxy-6-methylphenol)
CID 159541361
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
CID 157458416
CID 57364023
CID 57364023
3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)naphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris(2,5-dimethylpyrrol-1-ide);tetrakis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);pyrrol-1-ide
CID 159476015

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol (CID 11083392) is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol is CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.OC(C[C@H]1CCC[C@@H]1CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol?
The InChIKey is GROUZWAGSJLLBW-YFJLMHTMSA-N. The full InChI is InChI=1S/C13H14F12O2.C12H17N.C10H12.Mo/c14-10(15,16)8(26,11(17,18)19)4-6-2-1-3-7(6)5-9(27,12(20,21)22)13(23,24)25;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;/h6-7,26-27H,1-5H2;5-9H,1-4H3;1,4-8H,2-3H3;/t6-,7-;;;/m1.../s1.
What are the key properties of [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol?
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol has a molecular weight of 833.65 g/mol, XLogP of 11.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl]methyl]propan-2-ol is sourced from PubChem (CID 11083392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).