diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane

C22H23NP+ — CID 68558192

IUPACdiphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane
SMILESC=CC[n+]1ccc(CCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NP/c1-2-16-23-17-13-20(14-18-23)15-19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-14,17-18H,1,15-16,19H2/q+1
InChIKeyRSQITOGGJASZIE-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.84
Rot. Bonds7

About diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane

diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane (PubChem CID 68558192) has the molecular formula C22H23NP+ and a molecular weight of 332.41 g/mol. Its IUPAC name is diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane
PubChem CID68558192
Molecular FormulaC22H23NP+
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namediphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane
SMILESC=CC[n+]1ccc(CCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NP/c1-2-16-23-17-13-20(14-18-23)15-19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-14,17-18H,1,15-16,19H2/q+1
InChIKeyRSQITOGGJASZIE-UHFFFAOYSA-N
XLogP3.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
CID 11767136
4-phenyl-1-prop-2-enylpyridin-1-ium;1,4-xylene
CID 90739457
2-diphenylphosphanylethyl(diphenyl)phosphane;platinum;prop-2-enenitrile
CID 11828411
tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane
CID 3075455
bis(but-1-ene);3-diphenylphosphanylpropyl(diphenyl)phosphane;platinum(2+)
CID 139239630
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride
CID 67726467
2-(3-ethylphenyl)ethyl-diphenylphosphane
CID 150107410
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(hept-1-ene);platinum(2+)
CID 139239614
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
but-1-ene;2-diphenylphosphanylethyl(diphenyl)phosphane;pent-1-ene;platinum(2+)
CID 139239631
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane?
The IUPAC name of diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane (CID 68558192) is diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane.
What is the SMILES notation for diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane?
The canonical SMILES for diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane is C=CC[n+]1ccc(CCP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane?
The InChIKey is RSQITOGGJASZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NP/c1-2-16-23-17-13-20(14-18-23)15-19-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-14,17-18H,1,15-16,19H2/q+1.
What are the key properties of diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane?
diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane has a molecular weight of 332.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(1-prop-2-enylpyridin-1-ium-4-yl)ethyl]phosphane is sourced from PubChem (CID 68558192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).