bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

C141H166Br2Cl4FMoN8O3SW3-5 — CID 158750489

About bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum

bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (PubChem CID 158750489) has the molecular formula C141H166Br2Cl4FMoN8O3SW3-5 and a molecular weight of 3021.08 g/mol. Its IUPAC name is bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.

Molecular Properties

• Compound Name: bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
• PubChem CID: 158750489
• Molecular Formula: C141H166Br2Cl4FMoN8O3SW3-5
• Molecular Weight: 3021.08 g/mol
• Exact Mass: 3017.75
• IUPAC Name: bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)c1cccc(-c2ccccc2)c1O.CC(C)(C)c1cccc(-c2ccccc2)c1O.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(Br)cc(F)cc1Br.[S-]c1c(-c2ccccc2)cccc1-c1ccccc1
• InChI: InChI=1S/C18H14S.2C16H18O.2C12H17N.C10H12.C6H3Br2FO.2C6H3Cl2N.4C6H8N.3C5H10.Mo.3W/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;7-4-1-3(9)2-5(8)6(4)10;2*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;/h1-13,19H;2*4-11,17H,1-3H3;2*5-9H,1-4H3;1,4-8H,2-3H3;1-2,10H;2*1-3H;4*3-4H,1-2H3;3*1H,2-4H3;;;;/q;;;;;;;;;4*-1;;;;;;;/p-1
• InChIKey: LANHWRZMWAXUHA-UHFFFAOYSA-M
• XLogP: 43.51
• TPSA: 166.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3021.08
LogP ≤ 5	43.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

The IUPAC name of bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum (CID 158750489) is bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum.

What is the SMILES notation for bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

The canonical SMILES for bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)c1cccc(-c2ccccc2)c1O.CC(C)(C)c1cccc(-c2ccccc2)c1O.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[W]=CC(C)(C)C.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(Br)cc(F)cc1Br.[S-]c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

The InChIKey is LANHWRZMWAXUHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14S.2C16H18O.2C12H17N.C10H12.C6H3Br2FO.2C6H3Cl2N.4C6H8N.3C5H10.Mo.3W/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;2*1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-10(2,3)9-7-5-4-6-8-9;7-4-1-3(9)2-5(8)6(4)10;2*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;3*1-5(2,3)4;;;;/h1-13,19H;2*4-11,17H,1-3H3;2*5-9H,1-4H3;1,4-8H,2-3H3;1-2,10H;2*1-3H;4*3-4H,1-2H3;3*1H,2-4H3;;;;/q;;;;;;;;;4*-1;;;;;;;/p-1.

What are the key properties of bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum?

bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum has a molecular weight of 3021.08 g/mol, XLogP of 43.51, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum is sourced from PubChem (CID 158750489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).