[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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane

C59H90O7P2Si4 — CID 143235102

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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane (PubChem CID 143235102) has the molecular formula C59H90O7P2Si4 and a molecular weight of 1085.65 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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane
• PubChem CID: 143235102
• Molecular Formula: C59H90O7P2Si4
• Molecular Weight: 1085.65 g/mol
• Exact Mass: 1084.52
• 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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane
• SMILES: C=C(OC)C1=C(C)COP(Oc2c(-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)cc2[Si](C)(C)C)O1
• InChI: InChI=1S/C59H90O7P2Si4/c1-37-36-61-67(62-51(37)38(2)60-15)63-52-43(28-39(56(3,4)5)32-47(52)69(16,17)18)44-29-40(57(6,7)8)33-48(70(19,20)21)53(44)64-68-65-54-45(30-41(58(9,10)11)34-49(54)71(22,23)24)46-31-42(59(12,13)14)35-50(55(46)66-68)72(25,26)27/h28-35H,2,36H2,1,3-27H3
• InChIKey: MLXFJOKRJZCQMJ-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 72.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.65
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane (CID 143235102) 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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane is C=C(OC)C1=C(C)COP(Oc2c(-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)cc2[Si](C)(C)C)O1.

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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane?

The InChIKey is MLXFJOKRJZCQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H90O7P2Si4/c1-37-36-61-67(62-51(37)38(2)60-15)63-52-43(28-39(56(3,4)5)32-47(52)69(16,17)18)44-29-40(57(6,7)8)33-48(70(19,20)21)53(44)64-68-65-54-45(30-41(58(9,10)11)34-49(54)71(22,23)24)46-31-42(59(12,13)14)35-50(55(46)66-68)72(25,26)27/h28-35H,2,36H2,1,3-27H3.

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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane has a molecular weight of 1085.65 g/mol, XLogP of 17.26, 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-[[6-(1-methoxyethenyl)-5-methyl-4H-1,3,2-dioxaphosphinin-2-yl]oxy]phenyl]-trimethylsilane is sourced from PubChem (CID 143235102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).