bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

C266H307Br2Cl6F8Mo3N14O7W4-7 — CID 158721602

About bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol

bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (PubChem CID 158721602) has the molecular formula C266H307Br2Cl6F8Mo3N14O7W4-7 and a molecular weight of 5360.16 g/mol. Its IUPAC name is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.

Molecular Properties

• Compound Name: bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
• PubChem CID: 158721602
• Molecular Formula: C266H307Br2Cl6F8Mo3N14O7W4-7
• Molecular Weight: 5360.16 g/mol
• Exact Mass: 5358.57
• IUPAC Name: bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol
• 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=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1
• InChI: InChI=1S/2C24H25FO.C24H18O.2C18H13BrO.C12H17N.3C10H15N.C10H12.2C9H9F3O.3C6H3Cl2N.6C6H8N.6C5H10.C4H4N.3Mo.4W/c2*1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;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;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;3*7-4-2-1-3-5(8)6(4)9;6*1-5-3-4-6(2)7-5;6*1-5(2,3)4;1-2-4-5-3-1;;;;;;;/h2*7-12,26H,1-6H3;1-17,25H;2*1-12,20H;5-9H,1-4H3;3*7-9H,1-6H2;1,4-8H,2-3H3;2*2-6,13H,1H3;3*1-3H;6*3-4H,1-2H3;6*1H,2-4H3;1-4H;;;;;;;/q;;;;;;;;;;;;;;;6*-1;;;;;;;-1
• InChIKey: COALFGJCIAUNMZ-UHFFFAOYSA-N
• XLogP: 76.96
• TPSA: 326.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5360.16
LogP ≤ 5	76.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?

The IUPAC name of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol (CID 158721602) is bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol.

What is the SMILES notation for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?

The canonical SMILES for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol 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=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.CC(O)(c1ccccc1)C(F)(F)F.CC(O)(c1ccccc1)C(F)(F)F.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.

What is the InChIKey of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?

The InChIKey is COALFGJCIAUNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25FO.C24H18O.2C18H13BrO.C12H17N.3C10H15N.C10H12.2C9H9F3O.3C6H3Cl2N.6C6H8N.6C5H10.C4H4N.3Mo.4W/c2*1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8(2)10-6-5-7-11(9(3)4)12(10)13;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;2*1-8(13,9(10,11)12)7-5-3-2-4-6-7;3*7-4-2-1-3-5(8)6(4)9;6*1-5-3-4-6(2)7-5;6*1-5(2,3)4;1-2-4-5-3-1;;;;;;;/h2*7-12,26H,1-6H3;1-17,25H;2*1-12,20H;5-9H,1-4H3;3*7-9H,1-6H2;1,4-8H,2-3H3;2*2-6,13H,1H3;3*1-3H;6*3-4H,1-2H3;6*1H,2-4H3;1-4H;;;;;;;/q;;;;;;;;;;;;;;;6*-1;;;;;;;-1;;;;;;;.

What are the key properties of bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol?

bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol has a molecular weight of 5360.16 g/mol, XLogP of 76.96, 24 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(4-bromo-2,6-diphenylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;hexakis(2,5-dimethylpyrrol-1-ide);bis(4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol);pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol);2,4,6-triphenylphenol is sourced from PubChem (CID 158721602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).