1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum

C99H119Br2F5Mo2N4O3Si-2 — CID 159705863

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum (PubChem CID 159705863) has the molecular formula C99H119Br2F5Mo2N4O3Si-2 and a molecular weight of 1887.83 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum.

Molecular Properties

• Compound Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum
• PubChem CID: 159705863
• Molecular Formula: C99H119Br2F5Mo2N4O3Si-2
• Molecular Weight: 1887.83 g/mol
• Exact Mass: 1888.55
• IUPAC Name: 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum
• SMILES: C.CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/C26H34Br2O2Si.C24H26O.C10H15N.2C10H12.C6F5N.2C6H8N.CH4.2Mo/c1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-10(2,3)9-7-5-4-6-8-9;7-1-2(8)4(10)6(12)5(11)3(1)9;2*1-5-3-4-6(2)7-5;;;/h14-15,29H,6-13H2,1-5H3;7-13,25H,1-6H3;7-9H,1-6H2;2*1,4-8H,2-3H3;;2*3-4H,1-2H3;1H4;;/q;;;;;;2*-1
• InChIKey: GIXJXCGOFYDBEA-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 102.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1887.83
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum?

The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum (CID 159705863) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum.

What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum?

The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum is C.CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.CC(C)(C=[Mo]=Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.

What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum?

The InChIKey is GIXJXCGOFYDBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2O2Si.C24H26O.C10H15N.2C10H12.C6F5N.2C6H8N.CH4.2Mo/c1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;11-10-4-7-1-8(5-10)3-9(2-7)6-10;2*1-10(2,3)9-7-5-4-6-8-9;7-1-2(8)4(10)6(12)5(11)3(1)9;2*1-5-3-4-6(2)7-5;;;/h14-15,29H,6-13H2,1-5H3;7-13,25H,1-6H3;7-9H,1-6H2;2*1,4-8H,2-3H3;;2*3-4H,1-2H3;1H4;;/q;;;;;;2*-1;;;.

What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum?

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum has a molecular weight of 1887.83 g/mol, XLogP of 28.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum is sourced from PubChem (CID 159705863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).