[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite

C54H87O3P — CID 101311969

IUPAC[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(CCCCCCCCC)cccc2CCCCCCCCC)cc1
InChIInChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-34-48-40-44-52(45-41-48)55-58(56-53-46-42-49(43-47-53)35-30-26-22-18-14-10-6-2)57-54-50(36-31-27-23-19-15-11-7-3)38-33-39-51(54)37-32-28-24-20-16-12-8-4/h33,38-47H,5-32,34-37H2,1-4H3
InChIKeyDPZFONQOENRFMH-UHFFFAOYSA-N
MW815.26 g/mol
LogP18.62
Rot. Bonds38

About [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite

[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite (PubChem CID 101311969) has the molecular formula C54H87O3P and a molecular weight of 815.26 g/mol. Its IUPAC name is [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite.

Molecular Properties

Compound Name[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite
PubChem CID101311969
Molecular FormulaC54H87O3P
Molecular Weight815.26 g/mol
Exact Mass814.64
IUPAC Name[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite
SMILESCCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(CCCCCCCCC)cccc2CCCCCCCCC)cc1
InChIInChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-34-48-40-44-52(45-41-48)55-58(56-53-46-42-49(43-47-53)35-30-26-22-18-14-10-6-2)57-54-50(36-31-27-23-19-15-11-7-3)38-33-39-51(54)37-32-28-24-20-16-12-8-4/h33,38-47H,5-32,34-37H2,1-4H3
InChIKeyDPZFONQOENRFMH-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

bis(4-dodecylphenyl) phenyl phosphite
CID 154294931
octyl bis(4-octylphenyl) phosphite
CID 57093552
bis(2-decylphenyl) phenyl phosphite
CID 67947899
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
1,7-di(nonyl)naphthalene
CID 173372724
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
4,9-didodecylpicene
CID 58426566
4,9-dihexylpicene
CID 58426524
1-iodo-4-octadecylbenzene
CID 141122271
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite?
The IUPAC name of [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite (CID 101311969) is [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite.
What is the SMILES notation for [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite?
The canonical SMILES for [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite is CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2c(CCCCCCCCC)cccc2CCCCCCCCC)cc1.
What is the InChIKey of [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite?
The InChIKey is DPZFONQOENRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-34-48-40-44-52(45-41-48)55-58(56-53-46-42-49(43-47-53)35-30-26-22-18-14-10-6-2)57-54-50(36-31-27-23-19-15-11-7-3)38-33-39-51(54)37-32-28-24-20-16-12-8-4/h33,38-47H,5-32,34-37H2,1-4H3.
What are the key properties of [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite?
[2,6-di(nonyl)phenyl] bis(4-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 [2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite is sourced from PubChem (CID 101311969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).