[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite

C54H66O6P2Si — CID 58931579

IUPAC[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
SMILESCC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1[Si](C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C54H66O6P2Si/c1-51(2,3)39-27-15-19-31-43(39)55-61(56-44-32-20-16-28-40(44)52(4,5)6)59-47-35-23-25-37-49(47)63(13,14)50-38-26-24-36-48(50)60-62(57-45-33-21-17-29-41(45)53(7,8)9)58-46-34-22-18-30-42(46)54(10,11)12/h15-38H,1-14H3
InChIKeyZPLIWHJPEZLEEP-UHFFFAOYSA-N
MW901.15 g/mol
LogP15.23
Rot. Bonds14

About [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite

[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite (PubChem CID 58931579) has the molecular formula C54H66O6P2Si and a molecular weight of 901.15 g/mol. Its IUPAC name is [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite.

Molecular Properties

Compound Name[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
PubChem CID58931579
Molecular FormulaC54H66O6P2Si
Molecular Weight901.15 g/mol
Exact Mass900.41
IUPAC Name[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
SMILESCC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1[Si](C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C54H66O6P2Si/c1-51(2,3)39-27-15-19-31-43(39)55-61(56-44-32-20-16-28-40(44)52(4,5)6)59-47-35-23-25-37-49(47)63(13,14)50-38-26-24-36-48(50)60-62(57-45-33-21-17-29-41(45)53(7,8)9)58-46-34-22-18-30-42(46)54(10,11)12/h15-38H,1-14H3
InChIKeyZPLIWHJPEZLEEP-UHFFFAOYSA-N
XLogP15.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.15
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
[5-bis(2-tert-butylphenoxy)phosphanyl-9,9-dimethylxanthen-4-yl]-bis(2-tert-butylphenoxy)phosphane
CID 20727373
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381

Frequently Asked Questions

What is the IUPAC name of [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite?
The IUPAC name of [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite (CID 58931579) is [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite.
What is the SMILES notation for [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite?
The canonical SMILES for [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite is CC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1[Si](C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite?
The InChIKey is ZPLIWHJPEZLEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H66O6P2Si/c1-51(2,3)39-27-15-19-31-43(39)55-61(56-44-32-20-16-28-40(44)52(4,5)6)59-47-35-23-25-37-49(47)63(13,14)50-38-26-24-36-48(50)60-62(57-45-33-21-17-29-41(45)53(7,8)9)58-46-34-22-18-30-42(46)54(10,11)12/h15-38H,1-14H3.
What are the key properties of [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite?
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite has a molecular weight of 901.15 g/mol, XLogP of 15.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite is sourced from PubChem (CID 58931579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).