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

C134H157BrCl6F4MoN8O4W3-4 — CID 159103406

IUPAC4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);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)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.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.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C18H13BrO.C15H24O.C12H17N.C10H12.3C6H3Cl2N.C6H8N.3C5H10.C4H7F3O.3C4H4N.Mo.3W/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;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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;1-10(2,3)9-7-5-4-6-8-9;3*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;3*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;8-9,16H,1-7H3;5-9H,1-4H3;1,4-8H,2-3H3;3*1-3H;3-4H,1-2H3;3*1H,2-4H3;8H,1-2H3;3*1-4H;;;;/q;;;;;;;;-1;;;;;3*-1;;;;
InChIKeyRWXOYMBFHAISHL-UHFFFAOYSA-N
MW2959.86 g/mol
LogP41.84
Rot. Bonds12

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

4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 159103406) has the molecular formula C134H157BrCl6F4MoN8O4W3-4 and a molecular weight of 2959.86 g/mol. Its IUPAC name is 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID159103406
Molecular FormulaC134H157BrCl6F4MoN8O4W3-4
Molecular Weight2959.86 g/mol
Exact Mass2956.72
IUPAC Name4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);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)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.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.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C24H25FO.C18H13BrO.C15H24O.C12H17N.C10H12.3C6H3Cl2N.C6H8N.3C5H10.C4H7F3O.3C4H4N.Mo.3W/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;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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;1-10(2,3)9-7-5-4-6-8-9;3*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;3*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;8-9,16H,1-7H3;5-9H,1-4H3;1,4-8H,2-3H3;3*1-3H;3-4H,1-2H3;3*1H,2-4H3;8H,1-2H3;3*1-4H;;;;/q;;;;;;;;-1;;;;;3*-1;;;;
InChIKeyRWXOYMBFHAISHL-UHFFFAOYSA-N
XLogP41.84
TPSA186.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002959.86
LogP ≤ 541.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol (CID 159103406) is 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(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)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(O)C(F)(F)F.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.Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is RWXOYMBFHAISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO.C18H13BrO.C15H24O.C12H17N.C10H12.3C6H3Cl2N.C6H8N.3C5H10.C4H7F3O.3C4H4N.Mo.3W/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;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;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;1-10(2,3)9-7-5-4-6-8-9;3*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;3*1-2-4-5-3-1;;;;/h7-12,26H,1-6H3;1-12,20H;8-9,16H,1-7H3;5-9H,1-4H3;1,4-8H,2-3H3;3*1-3H;3-4H,1-2H3;3*1H,2-4H3;8H,1-2H3;3*1-4H;;;;/q;;;;;;;;-1;;;;;3*-1;;;;.
What are the key properties of 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol?
4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 2959.86 g/mol, XLogP of 41.84, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diphenylphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;tris(pyrrol-1-ide);1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 159103406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).