1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol)

C156H184Br6F6Mo4N6O7-2 — CID 157409866

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol)

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 157409866) has the molecular formula C156H184Br6F6Mo4N6O7-2 and a molecular weight of 3232.39 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

• Compound Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• PubChem CID: 157409866
• Molecular Formula: C156H184Br6F6Mo4N6O7-2
• Molecular Weight: 3232.39 g/mol
• Exact Mass: 3232.55
• IUPAC Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol)
• SMILES: CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.OCc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2
• InChI: InChI=1S/C21H22Br2O2.C21H22Br2O.C20H20Br2O2.C10H15N.4C10H12.3C8H9N.2C6H8N.2C4H7F3O.4Mo/c22-17-9-12-5-1-3-7-14(12)19(16(17)11-24)20-15-8-4-2-6-13(15)10-18(23)21(20)25;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;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;11-10-4-7-1-8(5-10)3-9(2-7)6-10;4*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;;;;/h9-10,24-25H,1-8,11H2;10-11,24H,2-9H2,1H3;9-10,23-24H,1-8H2;7-9H,1-6H2;4*1,4-8H,2-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3;2*8H,1-2H3;;;;/q;;;;;;;;;;;2*-1
• InChIKey: AOSRNRSIZSGSDI-UHFFFAOYSA-N
• XLogP: 43.64
• TPSA: 219.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3232.39
LogP ≤ 5	43.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 157409866) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol).

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

The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol) is CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.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)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)c1ccccc1.OCc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.

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

The InChIKey is AOSRNRSIZSGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Br2O2.C21H22Br2O.C20H20Br2O2.C10H15N.4C10H12.3C8H9N.2C6H8N.2C4H7F3O.4Mo/c22-17-9-12-5-1-3-7-14(12)19(16(17)11-24)20-15-8-4-2-6-13(15)10-18(23)21(20)25;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;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;11-10-4-7-1-8(5-10)3-9(2-7)6-10;4*1-10(2,3)9-7-5-4-6-8-9;3*1-6-4-3-5-7(2)8(6)9;2*1-5-3-4-6(2)7-5;2*1-3(2,8)4(5,6)7;;;;/h9-10,24-25H,1-8,11H2;10-11,24H,2-9H2,1H3;9-10,23-24H,1-8H2;7-9H,1-6H2;4*1,4-8H,2-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3;2*8H,1-2H3;;;;/q;;;;;;;;;;;2*-1;;;;;;.

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

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 3232.39 g/mol, XLogP of 43.64, 16 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;3-bromo-1-[3-bromo-2-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum);bis(2,5-dimethylpyrrol-1-ide);bis(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 157409866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).