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

C131H170Cl4F10Mo2N7O5W2-3 — CID 159060662

IUPAC2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.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
InChIInChI=1S/C24H25FO.C15H24O.2C12H17N.2C10H12.2C6H3Cl2N.C6H8N.2C5H10.3C4H7F3O.2C4H4N.2Mo.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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;2*1-5(2,3)4;3*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;2*5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3-4H,1-2H3;2*1H,2-4H3;3*8H,1-2H3;2*1-4H;;;;/q;;;;;;;;-1;;;;;;2*-1;;;;
InChIKeyWVKZOHCDUXCHHQ-UHFFFAOYSA-N
MW2814.20 g/mol
LogP40.22
Rot. Bonds14

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

2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol) (PubChem CID 159060662) has the molecular formula C131H170Cl4F10Mo2N7O5W2-3 and a molecular weight of 2814.20 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol).

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)
PubChem CID159060662
Molecular FormulaC131H170Cl4F10Mo2N7O5W2-3
Molecular Weight2814.20 g/mol
Exact Mass2814.90
IUPAC Name2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.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
InChIInChI=1S/C24H25FO.C15H24O.2C12H17N.2C10H12.2C6H3Cl2N.C6H8N.2C5H10.3C4H7F3O.2C4H4N.2Mo.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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;2*1-5(2,3)4;3*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;2*5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3-4H,1-2H3;2*1H,2-4H3;3*8H,1-2H3;2*1-4H;;;;/q;;;;;;;;-1;;;;;;2*-1;;;;
InChIKeyWVKZOHCDUXCHHQ-UHFFFAOYSA-N
XLogP40.22
TPSA192.89 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002814.20
LogP ≤ 540.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol) (CID 159060662) is 2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(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)(O)C(F)(F)F.CC(C)(O)C(F)(F)F.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)c1ccccc1.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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
The InChIKey is WVKZOHCDUXCHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO.C15H24O.2C12H17N.2C10H12.2C6H3Cl2N.C6H8N.2C5H10.3C4H7F3O.2C4H4N.2Mo.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;2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-10(2,3)9-7-5-4-6-8-9;2*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;2*1-5(2,3)4;3*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;2*5-9H,1-4H3;2*1,4-8H,2-3H3;2*1-3H;3-4H,1-2H3;2*1H,2-4H3;3*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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)?
2,6-ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol) has a molecular weight of 2814.20 g/mol, XLogP of 40.22, 14 rotatable bonds, 5 hydrogen bond donors, and 9 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);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol) is sourced from PubChem (CID 159060662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).