methyl(triphenyl)phosphanium;styrene

C27H26P+ — CID 174886967

IUPACmethyl(triphenyl)phosphanium;styrene
SMILESC=Cc1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18P.C8H8/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-8-6-4-3-5-7-8/h2-16H,1H3;2-7H,1H2/q+1;
InChIKeyFTHJHVDXYRUIHF-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.94
Rot. Bonds4

About methyl(triphenyl)phosphanium;styrene

methyl(triphenyl)phosphanium;styrene (PubChem CID 174886967) has the molecular formula C27H26P+ and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium;styrene.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium;styrene
PubChem CID174886967
Molecular FormulaC27H26P+
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Namemethyl(triphenyl)phosphanium;styrene
SMILESC=Cc1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18P.C8H8/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-8-6-4-3-5-7-8/h2-16H,1H3;2-7H,1H2/q+1;
InChIKeyFTHJHVDXYRUIHF-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)phosphanium;styrene?
The IUPAC name of methyl(triphenyl)phosphanium;styrene (CID 174886967) is methyl(triphenyl)phosphanium;styrene.
What is the SMILES notation for methyl(triphenyl)phosphanium;styrene?
The canonical SMILES for methyl(triphenyl)phosphanium;styrene is C=Cc1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl(triphenyl)phosphanium;styrene?
The InChIKey is FTHJHVDXYRUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18P.C8H8/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-2-8-6-4-3-5-7-8/h2-16H,1H3;2-7H,1H2/q+1;.
What are the key properties of methyl(triphenyl)phosphanium;styrene?
methyl(triphenyl)phosphanium;styrene has a molecular weight of 381.48 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium;styrene is sourced from PubChem (CID 174886967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).