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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol

C₁₅₂H₁₉₇Br₄Cl₂F₉Mo₃N₇O₅W-3 — CID 158430533

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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 158430533) has the molecular formula C₁₅₂H₁₉₇Br₄Cl₂F₉Mo₃N₇O₅W-3 and a molecular weight of 3235.46 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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 158430533
• Molecular Formula: C₁₅₂H₁₉₇Br₄Cl₂F₉Mo₃N₇O₅W-3
• Molecular Weight: 3235.46 g/mol
• Exact Mass: 3234.80
• 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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.c1cc[n-]c1
• InChI: InChI=1S/C34H46O.2C21H22Br2O.C10H15N.2C8H9N.C6H3Cl2N.2C6H8N.4C5H10.C4H4F6O.C4H7F3O.C4H4N.3Mo.W/c1-19(2)25-17-30(22(7)8)33(31(18-25)23(9)10)27-14-12-13-26(34(27)35)32-28(20(3)4)15-24(11)16-29(32)21(5)6;2*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;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;;/h12-23,35H,1-11H3;2*10-11,24H,2-9H2,1H3;7-9H,1-6H2;2*3-5H,1-2H3;1-3H;2*3-4H,1-2H3;4*1H,2-4H3;11H,1H3;8H,1-2H3;1-4H;;;;/q;;;;;;;2*-1;;;;;;;-1
• InChIKey: IBIASOOIRDZRCO-UHFFFAOYSA-N
• XLogP: 47.21
• TPSA: 192.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3235.46
LogP ≤ 5	47.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol (CID 158430533) 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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.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.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.Cc1cccc(C)c1N=[Mo]=CC(C)(C)C.c1cc[n-]c1.

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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is IBIASOOIRDZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O.2C21H22Br2O.C10H15N.2C8H9N.C6H3Cl2N.2C6H8N.4C5H10.C4H4F6O.C4H7F3O.C4H4N.3Mo.W/c1-19(2)25-17-30(22(7)8)33(31(18-25)23(9)10)27-14-12-13-26(34(27)35)32-28(20(3)4)15-24(11)16-29(32)21(5)6;2*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;7-4-2-1-3-5(8)6(4)9;2*1-5-3-4-6(2)7-5;4*1-5(2,3)4;1-2(11,3(5,6)7)4(8,9)10;1-3(2,8)4(5,6)7;1-2-4-5-3-1;;;;/h12-23,35H,1-11H3;2*10-11,24H,2-9H2,1H3;7-9H,1-6H2;2*3-5H,1-2H3;1-3H;2*3-4H,1-2H3;4*1H,2-4H3;11H,1H3;8H,1-2H3;1-4H;;;;/q;;;;;;;2*-1;;;;;;;-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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 3235.46 g/mol, XLogP of 47.21, 13 rotatable bonds, 5 hydrogen bond donors, and 9 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);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;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;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;pyrrol-1-ide;1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 158430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158430533 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.