2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol

C96H125Cl4F4MoN6O3W2-3 — CID 162225627

About 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol

2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 162225627) has the molecular formula C96H125Cl4F4MoN6O3W2-3 and a molecular weight of 2092.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol
• PubChem CID: 162225627
• Molecular Formula: C96H125Cl4F4MoN6O3W2-3
• Molecular Weight: 2092.52 g/mol
• Exact Mass: 2091.66
• IUPAC Name: 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol
• SMILES: CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.c1cc[n-]c1.c1cc[n-]c1
• InChI: InChI=1S/C24H25FO.C15H24O.C12H17N.2C6H3Cl2N.C6H8N.3C5H10.C4H7F3O.2C4H4N.Mo.2W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-3(2,8)4(5,6)7;2*1-2-4-5-3-1;;;/h7-12,26H,1-6H3;8-9,16H,1-7H3;5-9H,1-4H3;2*1-3H;3-4H,1-2H3;3*1H,2-4H3;8H,1-2H3;2*1-4H;;;/q;;;;;-1;;;;;2*-1
• InChIKey: JQNKJQOBKCWHAB-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 140.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2092.52
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?

The IUPAC name of 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol (CID 162225627) is 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol.

What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?

The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C)c(-c2cc(F)cc(-c3c(C)cc(C)cc3C)c2O)c(C)c1.Cc1ccc(C)[n-]1.c1cc[n-]c1.c1cc[n-]c1.

What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?

The InChIKey is JQNKJQOBKCWHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO.C15H24O.C12H17N.2C6H3Cl2N.C6H8N.3C5H10.C4H7F3O.2C4H4N.Mo.2W/c1-13-7-15(3)22(16(4)8-13)20-11-19(25)12-21(24(20)26)23-17(5)9-14(2)10-18(23)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;3*1-5(2,3)4;1-3(2,8)4(5,6)7;2*1-2-4-5-3-1;;;/h7-12,26H,1-6H3;8-9,16H,1-7H3;5-9H,1-4H3;2*1-3H;3-4H,1-2H3;3*1H,2-4H3;8H,1-2H3;2*1-4H;;;/q;;;;;-1;;;;;2*-1;;;.

What are the key properties of 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?

2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2092.52 g/mol, XLogP of 30.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;2,5-dimethylpyrrol-1-ide;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 162225627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).