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

C70H92O6P2 — CID 171748744

IUPAC2,4,8,10-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
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C70H92O6P2/c1-63(2,3)45-35-49(59(53(39-45)67(13,14)15)73-77-71-57(43-31-27-25-28-32-43)58(72-77)44-33-29-26-30-34-44)50-36-46(64(4,5)6)40-54(68(16,17)18)60(50)74-78-75-61-51(37-47(65(7,8)9)41-55(61)69(19,20)21)52-38-48(66(10,11)12)42-56(62(52)76-78)70(22,23)24/h25-42,57-58H,1-24H3/t57-,58+,77?
InChIKeyXOYYVLOXVOXMAV-RYXPTXLLSA-N
MW1091.45 g/mol
LogP22.31
Rot. Bonds7

About 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

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 (PubChem CID 171748744) has the molecular formula C70H92O6P2 and a molecular weight of 1091.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4,8,10-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
PubChem CID171748744
Molecular FormulaC70H92O6P2
Molecular Weight1091.45 g/mol
Exact Mass1090.64
IUPAC Name2,4,8,10-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
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C70H92O6P2/c1-63(2,3)45-35-49(59(53(39-45)67(13,14)15)73-77-71-57(43-31-27-25-28-32-43)58(72-77)44-33-29-26-30-34-44)50-36-46(64(4,5)6)40-54(68(16,17)18)60(50)74-78-75-61-51(37-47(65(7,8)9)41-55(61)69(19,20)21)52-38-48(66(10,11)12)42-56(62(52)76-78)70(22,23)24/h25-42,57-58H,1-24H3/t57-,58+,77?
InChIKeyXOYYVLOXVOXMAV-RYXPTXLLSA-N
XLogP22.31
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.45
LogP ≤ 522.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c3cc(C(C)(C)C)cc(C(C)(C)C)c3o2)c(OP2O[C@H](c3ccccc3)[C@H](c3ccccc3)O2)c(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is XOYYVLOXVOXMAV-RYXPTXLLSA-N. The full InChI is InChI=1S/C70H92O6P2/c1-63(2,3)45-35-49(59(53(39-45)67(13,14)15)73-77-71-57(43-31-27-25-28-32-43)58(72-77)44-33-29-26-30-34-44)50-36-46(64(4,5)6)40-54(68(16,17)18)60(50)74-78-75-61-51(37-47(65(7,8)9)41-55(61)69(19,20)21)52-38-48(66(10,11)12)42-56(62(52)76-78)70(22,23)24/h25-42,57-58H,1-24H3/t57-,58+,77?.
What are the key properties of 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?
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 has a molecular weight of 1091.45 g/mol, XLogP of 22.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171748744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).