iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane

C28H32IP — CID 139918176

IUPACiodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane
SMILESCC=CC1CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32IP/c1-2-12-24-19-21-25(22-20-24)23-30(29,26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h2-18,24-25H,19-23H2,1H3
InChIKeyIWVTURBTIVYIHX-UHFFFAOYSA-N
MW526.44 g/mol
LogP7.25
Rot. Bonds6

About iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane

iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane (PubChem CID 139918176) has the molecular formula C28H32IP and a molecular weight of 526.44 g/mol. Its IUPAC name is iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane.

Molecular Properties

Compound Nameiodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane
PubChem CID139918176
Molecular FormulaC28H32IP
Molecular Weight526.44 g/mol
Exact Mass526.13
IUPAC Nameiodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane
SMILESCC=CC1CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32IP/c1-2-12-24-19-21-25(22-20-24)23-30(29,26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h2-18,24-25H,19-23H2,1H3
InChIKeyIWVTURBTIVYIHX-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane?
The IUPAC name of iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane (CID 139918176) is iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane.
What is the SMILES notation for iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane?
The canonical SMILES for iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane is CC=CC1CCC(CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane?
The InChIKey is IWVTURBTIVYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32IP/c1-2-12-24-19-21-25(22-20-24)23-30(29,26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h2-18,24-25H,19-23H2,1H3.
What are the key properties of iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane?
iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane has a molecular weight of 526.44 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-triphenyl-[(4-prop-1-enylcyclohexyl)methyl]-λ5-phosphane is sourced from PubChem (CID 139918176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).