[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite

C54H85O3P-2 — CID 19065302

IUPAC[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite
SMILESCCCCCCCCCc1ccccc1-c1cc(OP([O-])[O-])c(CCCCCCCCC)c(CCCCCCCCC)c1-c1ccccc1CCCCCCCCC
InChIInChI=1S/C54H85O3P/c1-5-9-13-17-21-25-29-37-46-39-33-35-41-48(46)52-45-53(57-58(55)56)50(43-31-27-23-19-15-11-7-3)51(44-32-28-24-20-16-12-8-4)54(52)49-42-36-34-40-47(49)38-30-26-22-18-14-10-6-2/h33-36,39-42,45H,5-32,37-38,43-44H2,1-4H3/q-2
InChIKeyXEHZWIJSPVOKQG-UHFFFAOYSA-N
MW813.24 g/mol
LogP16.52
Rot. Bonds36

About [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite

[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite (PubChem CID 19065302) has the molecular formula C54H85O3P-2 and a molecular weight of 813.24 g/mol. Its IUPAC name is [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite.

Molecular Properties

Compound Name[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite
PubChem CID19065302
Molecular FormulaC54H85O3P-2
Molecular Weight813.24 g/mol
Exact Mass812.62
IUPAC Name[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite
SMILESCCCCCCCCCc1ccccc1-c1cc(OP([O-])[O-])c(CCCCCCCCC)c(CCCCCCCCC)c1-c1ccccc1CCCCCCCCC
InChIInChI=1S/C54H85O3P/c1-5-9-13-17-21-25-29-37-46-39-33-35-41-48(46)52-45-53(57-58(55)56)50(43-31-27-23-19-15-11-7-3)51(44-32-28-24-20-16-12-8-4)54(52)49-42-36-34-40-47(49)38-30-26-22-18-14-10-6-2/h33-36,39-42,45H,5-32,37-38,43-44H2,1-4H3/q-2
InChIKeyXEHZWIJSPVOKQG-UHFFFAOYSA-N
XLogP16.52
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.24
LogP ≤ 516.52
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'}

Analyze [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-tripentyl-6-(2-pentylphenyl)benzene-1,2-diamine
CID 87439243
[2,3-diheptyl-4-(2-pentylphenyl)phenyl] hydrogen carbonate
CID 67179146
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
[2,3,4-triethyl-5-(2-hexylphenyl)phenyl] hydrogen carbonate
CID 87299850
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
2-(2-pentylphenyl)phenol
CID 66866892
[2,3-bis(2-nonylphenyl)phenyl] dihydrogen phosphate
CID 18698880
2,3-bis(ethenyl)-1H-indole;1-methyl-2-(2-pentylphenyl)benzene
CID 177144901

Frequently Asked Questions

What is the IUPAC name of [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite?
The IUPAC name of [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite (CID 19065302) is [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite.
What is the SMILES notation for [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite?
The canonical SMILES for [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite is CCCCCCCCCc1ccccc1-c1cc(OP([O-])[O-])c(CCCCCCCCC)c(CCCCCCCCC)c1-c1ccccc1CCCCCCCCC.
What is the InChIKey of [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite?
The InChIKey is XEHZWIJSPVOKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H85O3P/c1-5-9-13-17-21-25-29-37-46-39-33-35-41-48(46)52-45-53(57-58(55)56)50(43-31-27-23-19-15-11-7-3)51(44-32-28-24-20-16-12-8-4)54(52)49-42-36-34-40-47(49)38-30-26-22-18-14-10-6-2/h33-36,39-42,45H,5-32,37-38,43-44H2,1-4H3/q-2.
What are the key properties of [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite?
[2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite has a molecular weight of 813.24 g/mol, XLogP of 16.52, 36 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-di(nonyl)-4,5-bis(2-nonylphenyl)phenyl] phosphite is sourced from PubChem (CID 19065302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).