1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

C172H172Br4F14Mo4N8O4-4 — CID 160723269

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (PubChem CID 160723269) has the molecular formula C172H172Br4F14Mo4N8O4-4 and a molecular weight of 3384.67 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.

Molecular Properties

• Compound Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
• PubChem CID: 160723269
• Molecular Formula: C172H172Br4F14Mo4N8O4-4
• Molecular Weight: 3384.67 g/mol
• Exact Mass: 3386.62
• IUPAC Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
• 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]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1
• InChI: InChI=1S/2C21H22Br2O.C19H16O.C18H13FO.C10H15N.4C10H12.C7H4F3N.2C6F5N.4C6H8N.4Mo/c2*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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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;2*7-1-2(8)4(10)6(12)5(11)3(1)9;4*1-5-3-4-6(2)7-5;;;;/h2*10-11,24H,2-9H2,1H3;2-13,20H,1H3;1-12,20H;7-9H,1-6H2;4*1,4-8H,2-3H3;1-4H;;;4*3-4H,1-2H3;;;;/q;;;;;;;;;;;;4*-1
• InChIKey: IHFKNTWSXARVSU-UHFFFAOYSA-N
• XLogP: 48.75
• TPSA: 186.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3384.67
LogP ≤ 5	48.75
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;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?

The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum (CID 160723269) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum.

What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?

The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum 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]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CC(C)(C=[Mo]=Nc1ccccc1C(F)(F)F)c1ccccc1.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(F)cc1-c1ccccc1.

What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?

The InChIKey is IHFKNTWSXARVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22Br2O.C19H16O.C18H13FO.C10H15N.4C10H12.C7H4F3N.2C6F5N.4C6H8N.4Mo/c2*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;1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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;2*7-1-2(8)4(10)6(12)5(11)3(1)9;4*1-5-3-4-6(2)7-5;;;;/h2*10-11,24H,2-9H2,1H3;2-13,20H,1H3;1-12,20H;7-9H,1-6H2;4*1,4-8H,2-3H3;1-4H;;;4*3-4H,1-2H3;;;;/q;;;;;;;;;;;;4*-1;;;;.

What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum?

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum has a molecular weight of 3384.67 g/mol, XLogP of 48.75, 18 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;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum is sourced from PubChem (CID 160723269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).