(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

C112H117Cl2F11Mo2N2O4 — CID 158261122

IUPAC(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
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2
InChIInChI=1S/4C21H22F2O.C10H12.C7H4F3N.C6H3Cl2N.C5H10.2Mo/c4*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;;/h4*10-11,24H,2-9H2,1H3;1,4-8H,2-3H3;1-4H;1-3H;1H,2-4H3;;
InChIKeyFYTNNHIYXSLGER-UHFFFAOYSA-N
MW2026.94 g/mol
LogP31.74
Rot. Bonds8

About (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

(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 (PubChem CID 158261122) has the molecular formula C112H117Cl2F11Mo2N2O4 and a molecular weight of 2026.94 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158261122
Molecular FormulaC112H117Cl2F11Mo2N2O4
Molecular Weight2026.94 g/mol
Exact Mass2028.63
IUPAC Name(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
SMILESCC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2
InChIInChI=1S/4C21H22F2O.C10H12.C7H4F3N.C6H3Cl2N.C5H10.2Mo/c4*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;;/h4*10-11,24H,2-9H2,1H3;1,4-8H,2-3H3;1-4H;1-3H;1H,2-4H3;;
InChIKeyFYTNNHIYXSLGER-UHFFFAOYSA-N
XLogP31.74
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002026.94
LogP ≤ 531.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

[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
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
bis(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;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(2,5-dimethylpyrrol-1-ide)
CID 161211592
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
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 160723269
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(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 158670601
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
CID 158079685
3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl]naphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);tris(2,5-dimethylpyrrol-1-ide);3-methyl-1-[2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-methyl-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162012869
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol);4-bromo-2,3,5,6-tetraphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tetrakis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 163550082
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;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)
CID 165033731
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 10996132
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
CID 10996131

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.
What is the InChIKey of (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?
The InChIKey is FYTNNHIYXSLGER-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H22F2O.C10H12.C7H4F3N.C6H3Cl2N.C5H10.2Mo/c4*1-12-17(22)10-13-6-2-4-8-15(13)19(12)20-16-9-5-3-7-14(16)11-18(23)21(20)24;1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)5-3-1-2-4-6(5)11;7-4-2-1-3-5(8)6(4)9;1-5(2,3)4;;/h4*10-11,24H,2-9H2,1H3;1,4-8H,2-3H3;1-4H;1-3H;1H,2-4H3;;.
What are the key properties of (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?
(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 has a molecular weight of 2026.94 g/mol, XLogP of 31.74, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158261122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).