[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane

C63H94O7P2Si4 — CID 58612639

IUPAC[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane
SMILESCCOc1cccc2c1OP(Oc1c(-c3cc(C(C)(C)C)cc([Si](C)(C)C)c3Op3oc4c([Si](C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc([Si](C)(C)C)c4o3)cc(C(C)(C)C)cc1[Si](C)(C)C)OC2(C)C
InChIInChI=1S/C63H94O7P2Si4/c1-28-64-49-31-29-30-48-58(49)69-72(70-63(48,14)15)68-57-47(35-43(62(11,12)13)39-53(57)76(25,26)27)46-34-42(61(8,9)10)38-52(75(22,23)24)56(46)67-71-65-54-44(32-40(59(2,3)4)36-50(54)73(16,17)18)45-33-41(60(5,6)7)37-51(55(45)66-71)74(19,20)21/h29-39H,28H2,1-27H3
InChIKeyKQVWEUKOCYBGPZ-UHFFFAOYSA-N
MW1137.73 g/mol
LogP18.52
Rot. Bonds11

About [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane

[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane (PubChem CID 58612639) has the molecular formula C63H94O7P2Si4 and a molecular weight of 1137.73 g/mol. Its IUPAC name is [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane
PubChem CID58612639
Molecular FormulaC63H94O7P2Si4
Molecular Weight1137.73 g/mol
Exact Mass1136.56
IUPAC Name[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane
SMILESCCOc1cccc2c1OP(Oc1c(-c3cc(C(C)(C)C)cc([Si](C)(C)C)c3Op3oc4c([Si](C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc([Si](C)(C)C)c4o3)cc(C(C)(C)C)cc1[Si](C)(C)C)OC2(C)C
InChIInChI=1S/C63H94O7P2Si4/c1-28-64-49-31-29-30-48-58(49)69-72(70-63(48,14)15)68-57-47(35-43(62(11,12)13)39-53(57)76(25,26)27)46-34-42(61(8,9)10)38-52(75(22,23)24)56(46)67-71-65-54-44(32-40(59(2,3)4)36-50(54)73(16,17)18)45-33-41(60(5,6)7)37-51(55(45)66-71)74(19,20)21/h29-39H,28H2,1-27H3
InChIKeyKQVWEUKOCYBGPZ-UHFFFAOYSA-N
XLogP18.52
TPSA72.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.73
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane with MolForge

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Related Compounds

2-[4-tert-butyl-2-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
CID 58640352
2-[4-tert-butyl-2-[5-tert-butyl-2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3-trimethylsilylphenyl]-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
CID 58640341
2-[2-[2-[4,8-bis(3,5-dimethylphenyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-tert-butyl-3-trimethylsilylphenyl]-4-tert-butyl-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
CID 58640343
2,4,8,10-tetratert-butyl-6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[(4R,5S)-4,5-diphenyl-1,3,2-dioxaphospholan-2-yl]oxy]phenyl]phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 171748744
4,8-ditert-butyl-6-(2-ethoxyphenoxy)-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67613320
2-[2-[2-(4,8-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-(2,4,6-trimethylphenyl)-3-trimethylsilylphenyl]-4-(2,4,6-trimethylphenyl)-6-trimethylsilylphenoxy]-1,3,2-dioxaphospholan-4-one
CID 58640334
3-tert-butyl-2-chloro-8-ethoxyquinoline
CID 63382066
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(4,8-ditert-butyl-2,10-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenol
CID 139721800
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;2,10-ditert-butyl-6-[2-[2-(2,10-ditert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158662327
2-(1-adamantyl)-4-tert-butyl-6-[[2-(2-ethoxyphenyl)-6-fluorophenyl]iminomethyl]phenol
CID 153236949

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?
The IUPAC name of [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane (CID 58612639) is [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane.
What is the SMILES notation for [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?
The canonical SMILES for [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane is CCOc1cccc2c1OP(Oc1c(-c3cc(C(C)(C)C)cc([Si](C)(C)C)c3Op3oc4c([Si](C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc([Si](C)(C)C)c4o3)cc(C(C)(C)C)cc1[Si](C)(C)C)OC2(C)C.
What is the InChIKey of [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?
The InChIKey is KQVWEUKOCYBGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H94O7P2Si4/c1-28-64-49-31-29-30-48-58(49)69-72(70-63(48,14)15)68-57-47(35-43(62(11,12)13)39-53(57)76(25,26)27)46-34-42(61(8,9)10)38-52(75(22,23)24)56(46)67-71-65-54-44(32-40(59(2,3)4)36-50(54)73(16,17)18)45-33-41(60(5,6)7)37-51(55(45)66-71)74(19,20)21/h29-39H,28H2,1-27H3.
What are the key properties of [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane?
[5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane has a molecular weight of 1137.73 g/mol, XLogP of 18.52, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-3-[5-tert-butyl-2-[2,10-ditert-butyl-4,8-bis(trimethylsilyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-3-trimethylsilylphenyl]-2-[(8-ethoxy-4,4-dimethyl-1,3,2-benzodioxaphosphinin-2-yl)oxy]phenyl]-trimethylsilane is sourced from PubChem (CID 58612639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).