4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol

C247H322BrCl6Mo4N14O8SiW3-7 — CID 159246897

IUPAC4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
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)(C)c1cc(Br)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C)[n-]1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C18H16OSi.2C18H14O.C18H30O.C15H24O2.C15H24O.C14H21BrO.4C12H17N.3C6H3Cl2N.C6H8N.7C5H10.6C4H4N.4Mo.3W/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;7*1-5(2,3)4;6*1-2-4-5-3-1;;;;;;;/h1-15,19H;2*1-13,19H;10-11,19H,1-9H3;8-9,16H,1-7H3;8-9,16H,1-7H3;7-8,16H,1-6H3;4*5-9H,1-4H3;3*1-3H;3-4H,1-2H3;7*1H,2-4H3;6*1-4H;;;;;;;/q;;;;;;;;;;;;;;-1;;;;;;;;6*-1;;;;;;;
InChIKeyGMXUUYSHSPQCHE-UHFFFAOYSA-N
MW4871.37 g/mol
LogP71.48
Rot. Bonds23

About 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol

4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol (PubChem CID 159246897) has the molecular formula C247H322BrCl6Mo4N14O8SiW3-7 and a molecular weight of 4871.37 g/mol. Its IUPAC name is 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol.

Molecular Properties

Compound Name4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
PubChem CID159246897
Molecular FormulaC247H322BrCl6Mo4N14O8SiW3-7
Molecular Weight4871.37 g/mol
Exact Mass4872.71
IUPAC Name4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
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)(C)c1cc(Br)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C)[n-]1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1
InChIInChI=1S/C18H16OSi.2C18H14O.C18H30O.C15H24O2.C15H24O.C14H21BrO.4C12H17N.3C6H3Cl2N.C6H8N.7C5H10.6C4H4N.4Mo.3W/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;7*1-5(2,3)4;6*1-2-4-5-3-1;;;;;;;/h1-15,19H;2*1-13,19H;10-11,19H,1-9H3;8-9,16H,1-7H3;8-9,16H,1-7H3;7-8,16H,1-6H3;4*5-9H,1-4H3;3*1-3H;3-4H,1-2H3;7*1H,2-4H3;6*1-4H;;;;;;;/q;;;;;;;;;;;;;;-1;;;;;;;;6*-1;;;;;;;
InChIKeyGMXUUYSHSPQCHE-UHFFFAOYSA-N
XLogP71.48
TPSA336.06 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms284
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004871.37
LogP ≤ 571.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol?
The IUPAC name of 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol (CID 159246897) is 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol.
What is the SMILES notation for 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol?
The canonical SMILES for 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol 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)(C)c1cc(Br)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C)[n-]1.O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.Oc1c(-c2ccccc2)cccc1-c1ccccc1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol?
The InChIKey is GMXUUYSHSPQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OSi.2C18H14O.C18H30O.C15H24O2.C15H24O.C14H21BrO.4C12H17N.3C6H3Cl2N.C6H8N.7C5H10.6C4H4N.4Mo.3W/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6;4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*7-4-2-1-3-5(8)6(4)9;1-5-3-4-6(2)7-5;7*1-5(2,3)4;6*1-2-4-5-3-1;;;;;;;/h1-15,19H;2*1-13,19H;10-11,19H,1-9H3;8-9,16H,1-7H3;8-9,16H,1-7H3;7-8,16H,1-6H3;4*5-9H,1-4H3;3*1-3H;3-4H,1-2H3;7*1H,2-4H3;6*1-4H;;;;;;;/q;;;;;;;;;;;;;;-1;;;;;;;;6*-1;;;;;;;.
What are the key properties of 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol?
4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol has a molecular weight of 4871.37 g/mol, XLogP of 71.48, 23 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol is sourced from PubChem (CID 159246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).