chloro-dioctadecyl-diphenyl-λ5-phosphane

C48H84ClP — CID 140527769

IUPACchloro-dioctadecyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H84ClP/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-50(49,47-41-35-33-36-42-47,48-43-37-34-38-44-48)46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-38,41-44H,3-32,39-40,45-46H2,1-2H3
InChIKeyDGIGTLOQDDBJPN-UHFFFAOYSA-N
MW727.63 g/mol
LogP16.87
Rot. Bonds36

About chloro-dioctadecyl-diphenyl-λ5-phosphane

chloro-dioctadecyl-diphenyl-λ5-phosphane (PubChem CID 140527769) has the molecular formula C48H84ClP and a molecular weight of 727.63 g/mol. Its IUPAC name is chloro-dioctadecyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-dioctadecyl-diphenyl-λ5-phosphane
PubChem CID140527769
Molecular FormulaC48H84ClP
Molecular Weight727.63 g/mol
Exact Mass726.60
IUPAC Namechloro-dioctadecyl-diphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H84ClP/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-50(49,47-41-35-33-36-42-47,48-43-37-34-38-44-48)46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-38,41-44H,3-32,39-40,45-46H2,1-2H3
InChIKeyDGIGTLOQDDBJPN-UHFFFAOYSA-N
XLogP16.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.63
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
ruthenium;trichloro-hexyl-[phenyl-[trichloro(hexyl)-λ5-phosphanyl]methyl]-λ5-phosphane;dihydrochloride
CID 173147619
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882

Frequently Asked Questions

What is the IUPAC name of chloro-dioctadecyl-diphenyl-λ5-phosphane?
The IUPAC name of chloro-dioctadecyl-diphenyl-λ5-phosphane (CID 140527769) is chloro-dioctadecyl-diphenyl-λ5-phosphane.
What is the SMILES notation for chloro-dioctadecyl-diphenyl-λ5-phosphane?
The canonical SMILES for chloro-dioctadecyl-diphenyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-dioctadecyl-diphenyl-λ5-phosphane?
The InChIKey is DGIGTLOQDDBJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H84ClP/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-50(49,47-41-35-33-36-42-47,48-43-37-34-38-44-48)46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-38,41-44H,3-32,39-40,45-46H2,1-2H3.
What are the key properties of chloro-dioctadecyl-diphenyl-λ5-phosphane?
chloro-dioctadecyl-diphenyl-λ5-phosphane has a molecular weight of 727.63 g/mol, XLogP of 16.87, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dioctadecyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 140527769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).