[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite

C54H87O3P — CID 3034833

IUPAC[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3
InChIKeyOZFFDSIESCRZEA-UHFFFAOYSA-N
MW815.26 g/mol
LogP18.62
Rot. Bonds38

About [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite

[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite (PubChem CID 3034833) has the molecular formula C54H87O3P and a molecular weight of 815.26 g/mol. Its IUPAC name is [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite.

Molecular Properties

Compound Name[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite
PubChem CID3034833
Molecular FormulaC54H87O3P
Molecular Weight815.26 g/mol
Exact Mass814.64
IUPAC Name[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC
InChIInChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3
InChIKeyOZFFDSIESCRZEA-UHFFFAOYSA-N
XLogP18.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.26
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Tri-m-cresyl phosphate
CID 11232
Tris(3,5-xylenyl)phosphate
CID 33133
Tris(nonylphenyl)phosphite
CID 76452
Tris(isopropylphenyl) phosphate
CID 75628
Tris(p-t-butylphenyl) phosphate
CID 6530
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Tris(2,4-di-tert-butylphenyl) phosphite
CID 91601
Tris(2,6-xylenyl)phosphate
CID 8460
Tris(2,5-xylenyl)phosphate
CID 29402
Isopropylphenyl diphenyl phosphate
CID 34148

Frequently Asked Questions

What is the IUPAC name of [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite?
The IUPAC name of [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite (CID 3034833) is [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite.
What is the SMILES notation for [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite?
The canonical SMILES for [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite is CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1cccc(CCCCCCCCC)c1CCCCCCCCC.
What is the InChIKey of [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite?
The InChIKey is OZFFDSIESCRZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3.
What are the key properties of [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite?
[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite has a molecular weight of 815.26 g/mol, XLogP of 18.62, 38 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite is sourced from PubChem (CID 3034833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).