(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum

C18H21MoN — CID 10996132

IUPAC(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
SMILESCc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/C10H12.C8H9N.Mo/c1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;/h1,4-8H,2-3H3;3-5H,1-2H3;
InChIKeyKCMGLWMKOSPHPJ-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.98
Rot. Bonds3

About (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum

(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum (PubChem CID 10996132) has the molecular formula C18H21MoN and a molecular weight of 347.31 g/mol. Its IUPAC name is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum.

Molecular Properties

Compound Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
PubChem CID10996132
Molecular FormulaC18H21MoN
Molecular Weight347.31 g/mol
Exact Mass349.07
IUPAC Name(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
SMILESCc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
InChIInChI=1S/C10H12.C8H9N.Mo/c1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;/h1,4-8H,2-3H3;3-5H,1-2H3;
InChIKeyKCMGLWMKOSPHPJ-UHFFFAOYSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
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
[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
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
CID 134940199
[2-chloro-6-(trifluoromethyl)phenyl]imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 158251001
1-methyl-2-(3-methyl-3-phenylbut-1-enyl)benzene
CID 54473536
2,2-dimethylpropylidene-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;bis(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis(6-fluoro-2-(3-fluoro-2,5,6-trimethylphenyl)-3,4-dimethylphenol);(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum
CID 159877811
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
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;tetrakis(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 158261122
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
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;bis((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;pyrrol-1-ide;2,4,6-triphenylphenol
CID 159462400
2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 161075571

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum?
The IUPAC name of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum (CID 10996132) is (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum.
What is the SMILES notation for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum?
The canonical SMILES for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum is Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum?
The InChIKey is KCMGLWMKOSPHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C8H9N.Mo/c1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;/h1,4-8H,2-3H3;3-5H,1-2H3;.
What are the key properties of (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum?
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum has a molecular weight of 347.31 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum is sourced from PubChem (CID 10996132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).