[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol

C35H40F6MoN2O2 — CID 144700683

IUPAC[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol
SMILESCC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(C(F)(F)F)C(F)(F)F.Oc1cccc2cccnc12
InChIInChI=1S/C12H17N.C10H12.C9H7NO.C4H4F6O.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-2(11,3(5,6)7)4(8,9)10;/h5-9H,1-4H3;1,4-8H,2-3H3;1-6,11H;11H,1H3;
InChIKeyGPQQDUQSARSDEF-UHFFFAOYSA-N
MW730.65 g/mol
LogP10.41
Rot. Bonds5

About [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol

[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol (PubChem CID 144700683) has the molecular formula C35H40F6MoN2O2 and a molecular weight of 730.65 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-methylpropan-2-ol;quinolin-8-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-methylpropan-2-ol;quinolin-8-ol
PubChem CID144700683
Molecular FormulaC35H40F6MoN2O2
Molecular Weight730.65 g/mol
Exact Mass732.20
IUPAC Name[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol
SMILESCC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(C(F)(F)F)C(F)(F)F.Oc1cccc2cccnc12
InChIInChI=1S/C12H17N.C10H12.C9H7NO.C4H4F6O.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-2(11,3(5,6)7)4(8,9)10;/h5-9H,1-4H3;1,4-8H,2-3H3;1-6,11H;11H,1H3;
InChIKeyGPQQDUQSARSDEF-UHFFFAOYSA-N
XLogP10.41
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.65
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol with MolForge

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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-methylpropan-2-ol;quinolin-8-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-methylpropan-2-ol;quinolin-8-ol (CID 144700683) is [2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-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-methylpropan-2-ol;quinolin-8-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-methylpropan-2-ol;quinolin-8-ol is CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(O)(C(F)(F)F)C(F)(F)F.Oc1cccc2cccnc12.
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-methylpropan-2-ol;quinolin-8-ol?
The InChIKey is GPQQDUQSARSDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H12.C9H7NO.C4H4F6O.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-2(11,3(5,6)7)4(8,9)10;/h5-9H,1-4H3;1,4-8H,2-3H3;1-6,11H;11H,1H3;.
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-methylpropan-2-ol;quinolin-8-ol?
[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;quinolin-8-ol has a molecular weight of 730.65 g/mol, XLogP of 10.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-methylpropan-2-ol;quinolin-8-ol is sourced from PubChem (CID 144700683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).