[1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum

C161H189Br3F3Mo3N6O7Si-3 — CID 157146194

About [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum

[1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum (PubChem CID 157146194) has the molecular formula C161H189Br3F3Mo3N6O7Si-3 and a molecular weight of 2932.93 g/mol. Its IUPAC name is [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum.

Molecular Properties

• Compound Name: [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum
• PubChem CID: 157146194
• Molecular Formula: C161H189Br3F3Mo3N6O7Si-3
• Molecular Weight: 2932.93 g/mol
• Exact Mass: 2933.91
• IUPAC Name: [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum
• SMILES: CC(C)c1cccc(C(C)C)c1N.CC(C)c1cccc(C(C)C)c1N.CC1CC[C@@H](C)[N-]1.COc1ccc(F)cc1C(C)(C)C(=[Mo])Oc1c(Br)cc2c(c1-c1c3c(cc(Br)c1O[Si](C)(C)C(C)(C)C)CCCC3)CCCC2.COc1ccc(F)cc1C(C)(C)C=[Mo].COc1ccc(F)cc1C(C)(C)C=[Mo]=Nc1c(C(C)C)cccc1C(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C37H45Br2FO3Si.C30H21BrO.C18H14O.2C12H19N.C12H17N.2C11H13FO.C6H12N.2C6H8N.3Mo/c1-36(2,3)44(7,8)43-35-30(39)20-24-14-10-12-16-27(24)33(35)32-26-15-11-9-13-23(26)19-29(38)34(32)42-22-37(4,5)28-21-25(40)17-18-31(28)41-6;31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-11(2,3)9-7-8(12)5-6-10(9)13-4;3*1-5-3-4-6(2)7-5;;;/h17-21H,9-16H2,1-8H3;1-20,32H;1-13,19H;2*5-9H,13H2,1-4H3;5-9H,1-4H3;2*1,5-7H,2-4H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;;;/q;;;;;;;;3*-1;;;/t;;;;;;;;5-,6?;;;;;/m........1...../s1
• InChIKey: PEUOBNRIMIPTCC-UKYYUOSISA-N
• XLogP: 45.45
• TPSA: 193.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2932.93
LogP ≤ 5	45.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum?

The IUPAC name of [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum (CID 157146194) is [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum.

What is the SMILES notation for [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum?

The canonical SMILES for [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum is CC(C)c1cccc(C(C)C)c1N.CC(C)c1cccc(C(C)C)c1N.CC1CC[C@@H](C)[N-]1.COc1ccc(F)cc1C(C)(C)C(=[Mo])Oc1c(Br)cc2c(c1-c1c3c(cc(Br)c1O[Si](C)(C)C(C)(C)C)CCCC3)CCCC2.COc1ccc(F)cc1C(C)(C)C=[Mo].COc1ccc(F)cc1C(C)(C)C=[Mo]=Nc1c(C(C)C)cccc1C(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)c(Br)c(-c2ccccc2)c1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum?

The InChIKey is PEUOBNRIMIPTCC-UKYYUOSISA-N. The full InChI is InChI=1S/C37H45Br2FO3Si.C30H21BrO.C18H14O.2C12H19N.C12H17N.2C11H13FO.C6H12N.2C6H8N.3Mo/c1-36(2,3)44(7,8)43-35-30(39)20-24-14-10-12-16-27(24)33(35)32-26-15-11-9-13-23(26)19-29(38)34(32)42-22-37(4,5)28-21-25(40)17-18-31(28)41-6;31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30(32)28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22;19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-11(2,3)9-7-8(12)5-6-10(9)13-4;3*1-5-3-4-6(2)7-5;;;/h17-21H,9-16H2,1-8H3;1-20,32H;1-13,19H;2*5-9H,13H2,1-4H3;5-9H,1-4H3;2*1,5-7H,2-4H3;5-6H,3-4H2,1-2H3;2*3-4H,1-2H3;;;/q;;;;;;;;3*-1;;;/t;;;;;;;;5-,6?;;;;;/m........1...../s1.

What are the key properties of [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum?

[1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum has a molecular weight of 2932.93 g/mol, XLogP of 45.45, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;4-bromo-2,3,5,6-tetraphenylphenol;bis(2,5-dimethylpyrrol-1-ide);(2R)-2,5-dimethylpyrrolidin-1-ide;2,6-diphenylphenol;bis(2,6-di(propan-2-yl)aniline);[2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum;[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum is sourced from PubChem (CID 157146194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).