1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol

C103H134Br4F9Mo3N5O4-2 — CID 158448680

About 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 158448680) has the molecular formula C103H134Br4F9Mo3N5O4-2 and a molecular weight of 2284.65 g/mol. Its IUPAC name is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 158448680
• Molecular Formula: C103H134Br4F9Mo3N5O4-2
• Molecular Weight: 2284.65 g/mol
• Exact Mass: 2285.42
• IUPAC Name: 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(O)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C
• InChI: InChI=1S/2C21H22Br2O.C10H15N.2C8H9N.2C6H8N.3C5H10.C4H4F6O.C4H7F3O.3Mo/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;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;1-3(2,8)4(5,6)7;;;/h2*10-11,24H,2-9H2,1H3;7-9H,1-6H2;2*3-5H,1-2H3;2*3-4H,1-2H3;3*1H,2-4H3;11H,1H3;8H,1-2H3;;;/q;;;;;2*-1
• InChIKey: VWYGWYZFKAODRU-UHFFFAOYSA-N
• XLogP: 31.17
• TPSA: 146.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2284.65
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol (CID 158448680) is 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(O)C(F)(F)F.CC(O)(C(F)(F)F)C(F)(F)F.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.

What is the InChIKey of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is VWYGWYZFKAODRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22Br2O.C10H15N.2C8H9N.2C6H8N.3C5H10.C4H4F6O.C4H7F3O.3Mo/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;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;1-3(2,8)4(5,6)7;;;/h2*10-11,24H,2-9H2,1H3;7-9H,1-6H2;2*3-5H,1-2H3;2*3-4H,1-2H3;3*1H,2-4H3;11H,1H3;8H,1-2H3;;;/q;;;;;2*-1;;;;;;;;.

What are the key properties of 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol?

1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2284.65 g/mol, XLogP of 31.17, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino(2,2-dimethylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);bis((2,6-dimethylphenyl)imino-(2,2-dimethylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 158448680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).