iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium

C20H17IP+ — CID 18626597

IUPACiodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
SMILESI[P+](/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17IP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-17H/q+1/b17-16+
InChIKeyVAFALKIRYCJTES-WUKNDPDISA-N
MW415.23 g/mol
LogP5.68
Rot. Bonds4

About iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium

iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium (PubChem CID 18626597) has the molecular formula C20H17IP+ and a molecular weight of 415.23 g/mol. Its IUPAC name is iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium.

Molecular Properties

Compound Nameiodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
PubChem CID18626597
Molecular FormulaC20H17IP+
Molecular Weight415.23 g/mol
Exact Mass415.01
IUPAC Nameiodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
SMILESI[P+](/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17IP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-17H/q+1/b17-16+
InChIKeyVAFALKIRYCJTES-WUKNDPDISA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.23
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
CID 67815660
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
3-phenylprop-2-ene-1,1-diol
CID 54432533
palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide
CID 11147193
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
CID 70569152
CID 70569152
CID 70567885
CID 70567885
diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 100937997
CID 148518460
CID 148518460
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004

Frequently Asked Questions

What is the IUPAC name of iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The IUPAC name of iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium (CID 18626597) is iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium.
What is the SMILES notation for iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The canonical SMILES for iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium is I[P+](/C=C/c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The InChIKey is VAFALKIRYCJTES-WUKNDPDISA-N. The full InChI is InChI=1S/C20H17IP/c21-22(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-17H/q+1/b17-16+.
What are the key properties of iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium?
iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium has a molecular weight of 415.23 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium is sourced from PubChem (CID 18626597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).