iodo-octadecyl-triphenyl-λ5-phosphane

C36H52IP — CID 140528131

IUPACiodo-octadecyl-triphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H52IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-38(37,34-27-20-17-21-28-34,35-29-22-18-23-30-35)36-31-24-19-25-32-36/h17-25,27-32H,2-16,26,33H2,1H3
InChIKeyRLKVJRNTGOTPAX-UHFFFAOYSA-N
MW642.69 g/mol
LogP11.13
Rot. Bonds20

About iodo-octadecyl-triphenyl-λ5-phosphane

iodo-octadecyl-triphenyl-λ5-phosphane (PubChem CID 140528131) has the molecular formula C36H52IP and a molecular weight of 642.69 g/mol. Its IUPAC name is iodo-octadecyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Nameiodo-octadecyl-triphenyl-λ5-phosphane
PubChem CID140528131
Molecular FormulaC36H52IP
Molecular Weight642.69 g/mol
Exact Mass642.29
IUPAC Nameiodo-octadecyl-triphenyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H52IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-38(37,34-27-20-17-21-28-34,35-29-22-18-23-30-35)36-31-24-19-25-32-36/h17-25,27-32H,2-16,26,33H2,1H3
InChIKeyRLKVJRNTGOTPAX-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.69
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
dodecyl-trihydroxy-phenyl-λ5-phosphane
CID 57297233
methyl-pentyl-triphenyl-λ5-phosphane tetrafluoroborate
CID 174530893
dihydroxy-octoxy-octyl-phenyl-λ5-phosphane
CID 141124882
benzyl-chloro-dimethyl-nonyl-λ5-phosphane
CID 140527849
1,1'-biphenyl;hexadecane
CID 173308514
10-iododecoxymethylbenzene;iodo-triphenyl-(10-phenylmethoxydecyl)-λ5-phosphane
CID 158234257

Frequently Asked Questions

What is the IUPAC name of iodo-octadecyl-triphenyl-λ5-phosphane?
The IUPAC name of iodo-octadecyl-triphenyl-λ5-phosphane (CID 140528131) is iodo-octadecyl-triphenyl-λ5-phosphane.
What is the SMILES notation for iodo-octadecyl-triphenyl-λ5-phosphane?
The canonical SMILES for iodo-octadecyl-triphenyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-octadecyl-triphenyl-λ5-phosphane?
The InChIKey is RLKVJRNTGOTPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H52IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-38(37,34-27-20-17-21-28-34,35-29-22-18-23-30-35)36-31-24-19-25-32-36/h17-25,27-32H,2-16,26,33H2,1H3.
What are the key properties of iodo-octadecyl-triphenyl-λ5-phosphane?
iodo-octadecyl-triphenyl-λ5-phosphane has a molecular weight of 642.69 g/mol, XLogP of 11.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-octadecyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 140528131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).