1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide

C181H170Br5F9Mo4N8O4-4 — CID 158137019

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide (PubChem CID 158137019) has the molecular formula C181H170Br5F9Mo4N8O4-4 and a molecular weight of 3475.66 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide.

Molecular Properties

• Compound Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide
• PubChem CID: 158137019
• Molecular Formula: C181H170Br5F9Mo4N8O4-4
• Molecular Weight: 3475.66 g/mol
• Exact Mass: 3476.54
• IUPAC Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide
• SMILES: CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1
• InChI: InChI=1S/C30H19Br3O.2C18H13BrO.C18H13FO.C12H17N.C10H15N.4C10H12.C7H4F3N.C6F5N.3C6H8N.C4H4N.4Mo/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;3*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;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;8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h1-18,34H;3*1-12,20H;5-9H,1-4H3;7-9H,1-6H2;4*1,4-8H,2-3H3;1-4H;;3*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;4*-1
• InChIKey: ZDZXYKURYHSPKL-UHFFFAOYSA-N
• XLogP: 52.67
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3475.66
LogP ≤ 5	52.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide?

The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide (CID 158137019) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide.

What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide?

The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide is CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccc(Br)cc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.c1cc[n-]c1.

What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide?

The InChIKey is ZDZXYKURYHSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br3O.2C18H13BrO.C18H13FO.C12H17N.C10H15N.4C10H12.C7H4F3N.C6F5N.3C6H8N.C4H4N.4Mo/c31-23-15-11-21(12-16-23)27-25(19-7-3-1-4-8-19)29(33)26(20-9-5-2-6-10-20)28(30(27)34)22-13-17-24(32)18-14-22;3*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;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;8-7(9,10)5-3-1-2-4-6(5)11;7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-5-3-4-6(2)7-5;1-2-4-5-3-1;;;;/h1-18,34H;3*1-12,20H;5-9H,1-4H3;7-9H,1-6H2;4*1,4-8H,2-3H3;1-4H;;3*3-4H,1-2H3;1-4H;;;;/q;;;;;;;;;;;;4*-1;;;;.

What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide?

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide has a molecular weight of 3475.66 g/mol, XLogP of 52.67, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-bis(4-bromophenyl)-3,5-diphenylphenol;bis(4-bromo-2,6-diphenylphenol);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-diphenylphenol;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;pyrrol-1-ide is sourced from PubChem (CID 158137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).