bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine

C38H41F12MoN3O2 — CID 178129974

IUPACbis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CCCc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H13N.C10H12.2C4H4F6O.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-9-7-4-6-8(2)10(9)11;1-10(2,3)9-7-5-4-6-8-9;2*1-2(11,3(5,6)7)4(8,9)10;/h1-8H;4,6-7H,3,5H2,1-2H3;1,4-8H,2-3H3;2*11H,1H3;
InChIKeyXUJULJQFRYZJNL-UHFFFAOYSA-N
MW895.68 g/mol
LogP11.49
Rot. Bonds6

About bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine

bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine (PubChem CID 178129974) has the molecular formula C38H41F12MoN3O2 and a molecular weight of 895.68 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine
PubChem CID178129974
Molecular FormulaC38H41F12MoN3O2
Molecular Weight895.68 g/mol
Exact Mass897.21
IUPAC Namebis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CCCc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C10H13N.C10H12.2C4H4F6O.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-9-7-4-6-8(2)10(9)11;1-10(2,3)9-7-5-4-6-8-9;2*1-2(11,3(5,6)7)4(8,9)10;/h1-8H;4,6-7H,3,5H2,1-2H3;1,4-8H,2-3H3;2*11H,1H3;
InChIKeyXUJULJQFRYZJNL-UHFFFAOYSA-N
XLogP11.49
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.68
LogP ≤ 511.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine with MolForge

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Related Compounds

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
CID 10996131
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 10996132
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum(2+);2-pyridin-2-ylpyridine;bis(pyrrol-1-ide)
CID 140601469
[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
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(3-butyl-2-methylphenyl)pyridine
CID 161168281
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
2,3-dipropylpyridine
CID 19593488
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-(2-butylphenyl)pyridine
CID 11977286

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine (CID 178129974) is bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine is CC(O)(C(F)(F)F)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.CCCc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine?
The InChIKey is XUJULJQFRYZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C10H13N.C10H12.2C4H4F6O.Mo/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5-9-7-4-6-8(2)10(9)11;1-10(2,3)9-7-5-4-6-8-9;2*1-2(11,3(5,6)7)4(8,9)10;/h1-8H;4,6-7H,3,5H2,1-2H3;1,4-8H,2-3H3;2*11H,1H3;.
What are the key properties of bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine?
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine has a molecular weight of 895.68 g/mol, XLogP of 11.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol);(2-methyl-2-phenylpropylidene)-(2-methyl-6-propylphenyl)iminomolybdenum;2-pyridin-2-ylpyridine is sourced from PubChem (CID 178129974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).