iodo-pentadecyl-triphenyl-lambda5-phosphane

C33H46IP — CID 15341703

IUPACiodo-pentadecyl-triphenyl-lambda5-phosphane
SMILESCCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H46IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-35(34,31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-13,23,30H2,1H3
InChIKeyIRTCYTIMQKGKPT-UHFFFAOYSA-N
MW600.61 g/mol
LogP9.96
Rot. Bonds17

About iodo-pentadecyl-triphenyl-lambda5-phosphane

iodo-pentadecyl-triphenyl-lambda5-phosphane (PubChem CID 15341703) has the molecular formula C33H46IP and a molecular weight of 600.61 g/mol. Its IUPAC name is iodo-pentadecyl-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Nameiodo-pentadecyl-triphenyl-lambda5-phosphane
PubChem CID15341703
Molecular FormulaC33H46IP
Molecular Weight600.61 g/mol
Exact Mass600.24
IUPAC Nameiodo-pentadecyl-triphenyl-lambda5-phosphane
SMILESCCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H46IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-35(34,31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-13,23,30H2,1H3
InChIKeyIRTCYTIMQKGKPT-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.61
LogP ≤ 59.96
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-octadecyl-triphenyl-λ5-phosphane
CID 140528131
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-pentadecyl-triphenyl-lambda5-phosphane?
The IUPAC name of iodo-pentadecyl-triphenyl-lambda5-phosphane (CID 15341703) is iodo-pentadecyl-triphenyl-lambda5-phosphane.
What is the SMILES notation for iodo-pentadecyl-triphenyl-lambda5-phosphane?
The canonical SMILES for iodo-pentadecyl-triphenyl-lambda5-phosphane is CCCCCCCCCCCCCCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-pentadecyl-triphenyl-lambda5-phosphane?
The InChIKey is IRTCYTIMQKGKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46IP/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-35(34,31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-13,23,30H2,1H3.
What are the key properties of iodo-pentadecyl-triphenyl-lambda5-phosphane?
iodo-pentadecyl-triphenyl-lambda5-phosphane has a molecular weight of 600.61 g/mol, XLogP of 9.96, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-pentadecyl-triphenyl-lambda5-phosphane is sourced from PubChem (CID 15341703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).