[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite

C76H76O6P2 — CID 140827255

IUPAC[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C76H76O6P2/c1-73(2,3)61-49-67(71(69(51-61)75(7,8)9)81-83(77-63-41-33-57(34-42-63)53-25-17-13-18-26-53)78-64-43-35-58(36-44-64)54-27-19-14-20-28-54)68-50-62(74(4,5)6)52-70(76(10,11)12)72(68)82-84(79-65-45-37-59(38-46-65)55-29-21-15-22-30-55)80-66-47-39-60(40-48-66)56-31-23-16-24-32-56/h13-52H,1-12H3
InChIKeyBPZLSLSXYQODGA-UHFFFAOYSA-N
MW1147.39 g/mol
LogP22.74
Rot. Bonds17

About [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite

[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite (PubChem CID 140827255) has the molecular formula C76H76O6P2 and a molecular weight of 1147.39 g/mol. Its IUPAC name is [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
PubChem CID140827255
Molecular FormulaC76H76O6P2
Molecular Weight1147.39 g/mol
Exact Mass1146.51
IUPAC Name[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C76H76O6P2/c1-73(2,3)61-49-67(71(69(51-61)75(7,8)9)81-83(77-63-41-33-57(34-42-63)53-25-17-13-18-26-53)78-64-43-35-58(36-44-64)54-27-19-14-20-28-54)68-50-62(74(4,5)6)52-70(76(10,11)12)72(68)82-84(79-65-45-37-59(38-46-65)55-29-21-15-22-30-55)80-66-47-39-60(40-48-66)56-31-23-16-24-32-56/h13-52H,1-12H3
InChIKeyBPZLSLSXYQODGA-UHFFFAOYSA-N
XLogP22.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.39
LogP ≤ 522.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
CID 140827254
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
[4-(benzenesulfonyl)phenyl] bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 15218832
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087227
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane
CID 21130823
[4-[4-bis(2,4-ditert-butylphenyl)phosphanyloxyphenyl]phenoxy]-bis(2,4-ditert-butylphenyl)phosphane
CID 126483253
[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenyl] [(2Z,4Z)-hepta-2,4-dien-6-ynyl] phenyl phosphite
CID 170074711
(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087216
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
1,2-bis(2,4-ditert-butylphenyl)-4-phenylbenzene
CID 141103881

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite?
The IUPAC name of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite (CID 140827255) is [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite?
The InChIKey is BPZLSLSXYQODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H76O6P2/c1-73(2,3)61-49-67(71(69(51-61)75(7,8)9)81-83(77-63-41-33-57(34-42-63)53-25-17-13-18-26-53)78-64-43-35-58(36-44-64)54-27-19-14-20-28-54)68-50-62(74(4,5)6)52-70(76(10,11)12)72(68)82-84(79-65-45-37-59(38-46-65)55-29-21-15-22-30-55)80-66-47-39-60(40-48-66)56-31-23-16-24-32-56/h13-52H,1-12H3.
What are the key properties of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite?
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite has a molecular weight of 1147.39 g/mol, XLogP of 22.74, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite is sourced from PubChem (CID 140827255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).