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

C103H102F18Mo2N2O4 — CID 159877811

About 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

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 (PubChem CID 159877811) has the molecular formula C103H102F18Mo2N2O4 and a molecular weight of 1965.80 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159877811
• Molecular Formula: C103H102F18Mo2N2O4
• Molecular Weight: 1965.80 g/mol
• Exact Mass: 1968.57
• IUPAC Name: 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
• SMILES: CC(C)(C)C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1cc(F)c(C)c(-c2c(C)c(C)cc(F)c2O)c1C.Cc1cc(F)c(C)c(-c2c(C)c(C)cc(F)c2O)c1C
• InChI: InChI=1S/2C21H22F2O.2C17H18F2O.C10H12.2C6F5N.C5H10.2Mo/c2*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*1-8-6-13(18)12(5)15(10(8)3)16-11(4)9(2)7-14(19)17(16)20;1-10(2,3)9-7-5-4-6-8-9;2*7-1-2(8)4(10)6(12)5(11)3(1)9;1-5(2,3)4;;/h2*10-11,24H,2-9H2,1H3;2*6-7,20H,1-5H3;1,4-8H,2-3H3;;;1H,2-4H3
• InChIKey: CSYXBVPXKDDBKF-UHFFFAOYSA-N
• XLogP: 29.75
• TPSA: 105.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1965.80
LogP ≤ 5	29.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.Cc1cc(F)c(C)c(-c2c(C)c(C)cc(F)c2O)c1C.Cc1cc(F)c(C)c(-c2c(C)c(C)cc(F)c2O)c1C.

What is the InChIKey of 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?

The InChIKey is CSYXBVPXKDDBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22F2O.2C17H18F2O.C10H12.2C6F5N.C5H10.2Mo/c2*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*1-8-6-13(18)12(5)15(10(8)3)16-11(4)9(2)7-14(19)17(16)20;1-10(2,3)9-7-5-4-6-8-9;2*7-1-2(8)4(10)6(12)5(11)3(1)9;1-5(2,3)4;;/h2*10-11,24H,2-9H2,1H3;2*6-7,20H,1-5H3;1,4-8H,2-3H3;;;1H,2-4H3;;.

What are the key properties of 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?

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 has a molecular weight of 1965.80 g/mol, XLogP of 29.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159877811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).