4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine

C53H58O8P2 — CID 121476390

IUPAC4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(C(C)C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3Op3oc4c(C)cc(C)cc4c4cc(C)cc(C)c4o3)oc3c(C(C)(C)C)cc(OC)cc3c2c1
InChIInChI=1S/C53H58O8P2/c1-28(2)39-24-37(54-14)25-44-45-26-38(55-15)27-46(53(11,12)13)52(45)61-63(60-51(39)44)59-50-36(10)19-32(6)23-43(50)42-22-31(5)18-35(9)49(42)58-62-56-47-33(7)16-29(3)20-40(47)41-21-30(4)17-34(8)48(41)57-62/h16-28H,1-15H3
InChIKeyOIGHLDCLJCBGKT-UHFFFAOYSA-N
MW884.99 g/mol
LogP17.15
Rot. Bonds8

About 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine

4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 121476390) has the molecular formula C53H58O8P2 and a molecular weight of 884.99 g/mol. Its IUPAC name is 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID121476390
Molecular FormulaC53H58O8P2
Molecular Weight884.99 g/mol
Exact Mass884.36
IUPAC Name4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1cc(C(C)C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3Op3oc4c(C)cc(C)cc4c4cc(C)cc(C)c4o3)oc3c(C(C)(C)C)cc(OC)cc3c2c1
InChIInChI=1S/C53H58O8P2/c1-28(2)39-24-37(54-14)25-44-45-26-38(55-15)27-46(53(11,12)13)52(45)61-63(60-51(39)44)59-50-36(10)19-32(6)23-43(50)42-22-31(5)18-35(9)49(42)58-62-56-47-33(7)16-29(3)20-40(47)41-21-30(4)17-34(8)48(41)57-62/h16-28H,1-15H3
InChIKeyOIGHLDCLJCBGKT-UHFFFAOYSA-N
XLogP17.15
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.99
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2-methoxy-10-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methylphenyl]-4-methoxyphenol;[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2-methoxy-10-methylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methylphenyl]-4-methoxyphenoxy]-dichlorophosphane;2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-5-methyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;methane;bis(trichlorophosphane)
CID 160532237
6-[2-tert-butyl-6-(3-tert-butyl-2,5-dimethoxyphenyl)-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-methoxyphenyl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158188032
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxyphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 161086352
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methylphenol;6-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;6-chloro-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine;2,4-dimethylphenol;2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol;iron;trichlorophosphane
CID 160859311
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite
CID 15123647
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenoxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 21130889
2-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-6-methyl-1,3,2-benzodioxaphosphinin-4-one
CID 88856871
bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;tert-butyl [2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] carbonate;tert-butyl [2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxyphenyl] carbonate;tris(2,4-ditert-butylphenyl) phosphite
CID 161428389
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-[2-(2-methylphenoxy)propan-2-yl]phosphane
CID 89382870
4,8-ditert-butyl-6-(2-ethoxyphenoxy)-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67613320
4,8-ditert-butyl-6-[4-(4,8-ditert-butyl-2,10-diethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yloxy]-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 77459517
4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-[(4,6-ditert-butyl-1,3-benzodioxol-2-yl)oxy]-5-methoxyphenyl]-4-methoxyphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 59889718

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine (CID 121476390) is 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine is COc1cc(C(C)C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3Op3oc4c(C)cc(C)cc4c4cc(C)cc(C)c4o3)oc3c(C(C)(C)C)cc(OC)cc3c2c1.
What is the InChIKey of 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is OIGHLDCLJCBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H58O8P2/c1-28(2)39-24-37(54-14)25-44-45-26-38(55-15)27-46(53(11,12)13)52(45)61-63(60-51(39)44)59-50-36(10)19-32(6)23-43(50)42-22-31(5)18-35(9)49(42)58-62-56-47-33(7)16-29(3)20-40(47)41-21-30(4)17-34(8)48(41)57-62/h16-28H,1-15H3.
What are the key properties of 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine?
4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 884.99 g/mol, XLogP of 17.15, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 121476390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).