9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite

C63H105O3P — CID 54511310

IUPAC9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite
SMILESCCCCCCCCCc1ccc(C(CCCCCCCCOP(O)Oc2ccccc2)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1
InChIInChI=1S/C63H105O3P/c1-5-9-13-17-21-27-34-42-56-49-51-61(58(54-56)44-36-29-23-19-15-11-7-3)63(48-40-31-25-26-32-41-53-65-67(64)66-60-46-38-33-39-47-60)62-52-50-57(43-35-28-22-18-14-10-6-2)55-59(62)45-37-30-24-20-16-12-8-4/h33,38-39,46-47,49-52,54-55,63-64H,5-32,34-37,40-45,48,53H2,1-4H3
InChIKeyYJHSFURIWJUMCY-UHFFFAOYSA-N
MW941.50 g/mol
LogP21.04
Rot. Bonds46

About 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite

9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite (PubChem CID 54511310) has the molecular formula C63H105O3P and a molecular weight of 941.50 g/mol. Its IUPAC name is 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite.

Molecular Properties

Compound Name9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite
PubChem CID54511310
Molecular FormulaC63H105O3P
Molecular Weight941.50 g/mol
Exact Mass940.78
IUPAC Name9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite
SMILESCCCCCCCCCc1ccc(C(CCCCCCCCOP(O)Oc2ccccc2)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1
InChIInChI=1S/C63H105O3P/c1-5-9-13-17-21-27-34-42-56-49-51-61(58(54-56)44-36-29-23-19-15-11-7-3)63(48-40-31-25-26-32-41-53-65-67(64)66-60-46-38-33-39-47-60)62-52-50-57(43-35-28-22-18-14-10-6-2)55-59(62)45-37-30-24-20-16-12-8-4/h33,38-39,46-47,49-52,54-55,63-64H,5-32,34-37,40-45,48,53H2,1-4H3
InChIKeyYJHSFURIWJUMCY-UHFFFAOYSA-N
XLogP21.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds46
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.50
LogP ≤ 521.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen 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

12,12-diphenyldodecyl phenyl hydrogen phosphite
CID 70542375
6-(2-butyl-5-methylphenyl)tridecyl tridecyl hydrogen phosphite
CID 67914710
diphenyl hydrogen phosphite;(2-nonylphenyl) dihydrogen phosphite
CID 88805641
bis(4-dodecylphenyl) phenyl phosphite
CID 154294931
octyl bis(4-octylphenyl) phosphite
CID 57093552
benzyl dodecyl hydrogen phosphite
CID 161198417
benzyl hexyl hydrogen phosphite
CID 174676176
1,4-dihexadecyl-2-phenoxybenzene
CID 101292199
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
phenyl bis(12-tridecoxytridecyl) phosphite
CID 101311892
[carbamoyloxy-[2,4-di(icosyl)phenyl]methyl] carbamate
CID 123421497

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite?
The IUPAC name of 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite (CID 54511310) is 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite.
What is the SMILES notation for 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite?
The canonical SMILES for 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite is CCCCCCCCCc1ccc(C(CCCCCCCCOP(O)Oc2ccccc2)c2ccc(CCCCCCCCC)cc2CCCCCCCCC)c(CCCCCCCCC)c1.
What is the InChIKey of 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite?
The InChIKey is YJHSFURIWJUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H105O3P/c1-5-9-13-17-21-27-34-42-56-49-51-61(58(54-56)44-36-29-23-19-15-11-7-3)63(48-40-31-25-26-32-41-53-65-67(64)66-60-46-38-33-39-47-60)62-52-50-57(43-35-28-22-18-14-10-6-2)55-59(62)45-37-30-24-20-16-12-8-4/h33,38-39,46-47,49-52,54-55,63-64H,5-32,34-37,40-45,48,53H2,1-4H3.
What are the key properties of 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite?
9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite has a molecular weight of 941.50 g/mol, XLogP of 21.04, 46 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2,4-di(nonyl)phenyl]nonyl phenyl hydrogen phosphite is sourced from PubChem (CID 54511310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).