tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide

C182H230Cl2F6Mo3N8O4W-4 — CID 160588392

About tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide

tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide (PubChem CID 160588392) has the molecular formula C182H230Cl2F6Mo3N8O4W-4 and a molecular weight of 3250.45 g/mol. Its IUPAC name is tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide.

Molecular Properties

• Compound Name: tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide
• PubChem CID: 160588392
• Molecular Formula: C182H230Cl2F6Mo3N8O4W-4
• Molecular Weight: 3250.45 g/mol
• Exact Mass: 3253.40
• IUPAC Name: tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide
• SMILES: CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc2c(c(-c3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1cc2c(c(-c3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C34H46O.2C23H25F3O.C18H14O.3C10H15N.C10H12.C6H3Cl2N.3C6H8N.C5H6N.3C5H10.3Mo.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*1-13-11-15-7-3-5-9-17(15)20(14(13)2)21-18-10-6-4-8-16(18)12-19(22(21)27)23(24,25)26;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5-3-2-4-6-5;3*1-5(2,3)4;;;;/h12-23,35H,1-11H3;2*11-12,27H,3-10H2,1-2H3;1-13,19H;3*7-9H,1-6H2;1,4-8H,2-3H3;1-3H;3*3-4H,1-2H3;2-4H,1H3;3*1H,2-4H3;;;;/q;;;;;;;;;4*-1
• InChIKey: FLWSKSQZYWFRNH-UHFFFAOYSA-N
• XLogP: 50.90
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3250.45
LogP ≤ 5	50.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide?

The IUPAC name of tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide (CID 160588392) is tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide.

What is the SMILES notation for tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide?

The canonical SMILES for tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide is CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C)C=[Mo]=NC12CC3CC(CC(C3)C1)C2.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2O)c(C(C)C)c1.Cc1cc2c(c(-c3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1cc2c(c(-c3c(O)c(C(F)(F)F)cc4c3CCCC4)c1C)CCCC2.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide?

The InChIKey is FLWSKSQZYWFRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O.2C23H25F3O.C18H14O.3C10H15N.C10H12.C6H3Cl2N.3C6H8N.C5H6N.3C5H10.3Mo.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*1-13-11-15-7-3-5-9-17(15)20(14(13)2)21-18-10-6-4-8-16(18)12-19(22(21)27)23(24,25)26;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;1-5-3-2-4-6-5;3*1-5(2,3)4;;;;/h12-23,35H,1-11H3;2*11-12,27H,3-10H2,1-2H3;1-13,19H;3*7-9H,1-6H2;1,4-8H,2-3H3;1-3H;3*3-4H,1-2H3;2-4H,1H3;3*1H,2-4H3;;;;/q;;;;;;;;;4*-1;;;;;;;.

What are the key properties of tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide?

tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide has a molecular weight of 3250.45 g/mol, XLogP of 50.90, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide is sourced from PubChem (CID 160588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).