bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide

C137H170Cl2F3Mo2N6O3W-3 — CID 158387029

About bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide

bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide (PubChem CID 158387029) has the molecular formula C137H170Cl2F3Mo2N6O3W-3 and a molecular weight of 2452.53 g/mol. Its IUPAC name is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide.

Molecular Properties

• Compound Name: bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide
• PubChem CID: 158387029
• Molecular Formula: C137H170Cl2F3Mo2N6O3W-3
• Molecular Weight: 2452.53 g/mol
• Exact Mass: 2454.03
• IUPAC Name: bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-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=[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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1
• InChI: InChI=1S/C34H46O.C23H25F3O.C18H14O.2C10H15N.C10H12.C6H3Cl2N.2C6H8N.2C5H10.C4H4N.2Mo.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;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;2*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;2*1-5-3-4-6(2)7-5;2*1-5(2,3)4;1-2-4-5-3-1;;;/h12-23,35H,1-11H3;11-12,27H,3-10H2,1-2H3;1-13,19H;2*7-9H,1-6H2;1,4-8H,2-3H3;1-3H;2*3-4H,1-2H3;2*1H,2-4H3;1-4H;;;/q;;;;;;;2*-1;;;-1
• InChIKey: SQGDOIRVFYYEPA-UHFFFAOYSA-N
• XLogP: 38.81
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2452.53
LogP ≤ 5	38.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide?

The IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide (CID 158387029) is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide.

What is the SMILES notation for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide?

The canonical SMILES for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-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=[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.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.

What is the InChIKey of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide?

The InChIKey is SQGDOIRVFYYEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O.C23H25F3O.C18H14O.2C10H15N.C10H12.C6H3Cl2N.2C6H8N.2C5H10.C4H4N.2Mo.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;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;2*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;2*1-5-3-4-6(2)7-5;2*1-5(2,3)4;1-2-4-5-3-1;;;/h12-23,35H,1-11H3;11-12,27H,3-10H2,1-2H3;1-13,19H;2*7-9H,1-6H2;1,4-8H,2-3H3;1-3H;2*3-4H,1-2H3;2*1H,2-4H3;1-4H;;;/q;;;;;;;2*-1;;;-1;;;.

What are the key properties of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide?

bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide has a molecular weight of 2452.53 g/mol, XLogP of 38.81, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);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;pyrrol-1-ide is sourced from PubChem (CID 158387029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).