[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

C128H140ClF12Mo3N6O3-3 — CID 158251001

About [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

[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 (PubChem CID 158251001) has the molecular formula C128H140ClF12Mo3N6O3-3 and a molecular weight of 2361.82 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 158251001
• Molecular Formula: C128H140ClF12Mo3N6O3-3
• Molecular Weight: 2361.82 g/mol
• Exact Mass: 2365.77
• IUPAC Name: [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
• SMILES: CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1C(F)(F)F.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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1
• InChI: InChI=1S/3C21H22F2O.2C10H12.C8H9N.C7H3ClF3N.C7H4F3N.3C6H8N.C5H10.3Mo/c3*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;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-5-3-1-2-4(6(5)12)7(9,10)11;8-7(9,10)5-3-1-2-4-6(5)11;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h3*10-11,24H,2-9H2,1H3;2*1,4-8H,2-3H3;3-5H,1-2H3;1-3H;1-4H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1
• InChIKey: KJFNSIILMWAYND-UHFFFAOYSA-N
• XLogP: 35.46
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2361.82
LogP ≤ 5	35.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC(C)(C)C=[Mo]=Nc1c(Cl)cccc1C(F)(F)F.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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.

What is the InChIKey of [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?

The InChIKey is KJFNSIILMWAYND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H22F2O.2C10H12.C8H9N.C7H3ClF3N.C7H4F3N.3C6H8N.C5H10.3Mo/c3*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;2*1-10(2,3)9-7-5-4-6-8-9;1-6-4-3-5-7(2)8(6)9;8-5-3-1-2-4(6(5)12)7(9,10)11;8-7(9,10)5-3-1-2-4-6(5)11;3*1-5-3-4-6(2)7-5;1-5(2,3)4;;;/h3*10-11,24H,2-9H2,1H3;2*1,4-8H,2-3H3;3-5H,1-2H3;1-3H;1-4H;3*3-4H,1-2H3;1H,2-4H3;;;/q;;;;;;;;3*-1;;;;.

What are the key properties of [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?

[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 has a molecular weight of 2361.82 g/mol, XLogP of 35.46, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 158251001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).