bis(4-dodecylphenyl) phenyl phosphite

C42H63O3P — CID 154294931

IUPACbis(4-dodecylphenyl) phenyl phosphite
SMILESCCCCCCCCCCCCc1ccc(OP(Oc2ccccc2)Oc2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C42H63O3P/c1-3-5-7-9-11-13-15-17-19-22-26-38-30-34-41(35-31-38)44-46(43-40-28-24-21-25-29-40)45-42-36-32-39(33-37-42)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-37H,3-20,22-23,26-27H2,1-2H3
InChIKeyGYJLKFRPHCYHRJ-UHFFFAOYSA-N
MW646.94 g/mol
LogP14.38
Rot. Bonds28

About bis(4-dodecylphenyl) phenyl phosphite

bis(4-dodecylphenyl) phenyl phosphite (PubChem CID 154294931) has the molecular formula C42H63O3P and a molecular weight of 646.94 g/mol. Its IUPAC name is bis(4-dodecylphenyl) phenyl phosphite.

Molecular Properties

Compound Namebis(4-dodecylphenyl) phenyl phosphite
PubChem CID154294931
Molecular FormulaC42H63O3P
Molecular Weight646.94 g/mol
Exact Mass646.45
IUPAC Namebis(4-dodecylphenyl) phenyl phosphite
SMILESCCCCCCCCCCCCc1ccc(OP(Oc2ccccc2)Oc2ccc(CCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C42H63O3P/c1-3-5-7-9-11-13-15-17-19-22-26-38-30-34-41(35-31-38)44-46(43-40-28-24-21-25-29-40)45-42-36-32-39(33-37-42)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-37H,3-20,22-23,26-27H2,1-2H3
InChIKeyGYJLKFRPHCYHRJ-UHFFFAOYSA-N
XLogP14.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.94
LogP ≤ 514.38
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

[2,6-di(nonyl)phenyl] bis(4-nonylphenyl) phosphite
CID 101311969
octyl bis(4-octylphenyl) phosphite
CID 57093552
bis(2-decylphenyl) phenyl phosphite
CID 67947899
1-pentadecyl-4-phenylbenzene
CID 57166115
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
pentanonacontylbenzene
CID 165359347
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
(4-nonylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 140845535
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of bis(4-dodecylphenyl) phenyl phosphite?
The IUPAC name of bis(4-dodecylphenyl) phenyl phosphite (CID 154294931) is bis(4-dodecylphenyl) phenyl phosphite.
What is the SMILES notation for bis(4-dodecylphenyl) phenyl phosphite?
The canonical SMILES for bis(4-dodecylphenyl) phenyl phosphite is CCCCCCCCCCCCc1ccc(OP(Oc2ccccc2)Oc2ccc(CCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of bis(4-dodecylphenyl) phenyl phosphite?
The InChIKey is GYJLKFRPHCYHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H63O3P/c1-3-5-7-9-11-13-15-17-19-22-26-38-30-34-41(35-31-38)44-46(43-40-28-24-21-25-29-40)45-42-36-32-39(33-37-42)27-23-20-18-16-14-12-10-8-6-4-2/h21,24-25,28-37H,3-20,22-23,26-27H2,1-2H3.
What are the key properties of bis(4-dodecylphenyl) phenyl phosphite?
bis(4-dodecylphenyl) phenyl phosphite has a molecular weight of 646.94 g/mol, XLogP of 14.38, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-dodecylphenyl) phenyl phosphite is sourced from PubChem (CID 154294931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).