[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium

C33H28P+ — CID 58231993

IUPAC[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
SMILESCc1ccc(/C=C/c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H28P/c1-27-17-19-28(20-18-27)21-22-29-23-25-33(26-24-29)34(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3/q+1/b22-21+
InChIKeyJWNMJRJVMGYFMS-QURGRASLSA-N
MW455.56 g/mol
LogP6.78
Rot. Bonds6

About [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium

[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium (PubChem CID 58231993) has the molecular formula C33H28P+ and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
PubChem CID58231993
Molecular FormulaC33H28P+
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
SMILESCc1ccc(/C=C/c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H28P/c1-27-17-19-28(20-18-27)21-22-29-23-25-33(26-24-29)34(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3/q+1/b22-21+
InChIKeyJWNMJRJVMGYFMS-QURGRASLSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
tetrakis(4-methylphenyl)phosphanium bromide
CID 18356132
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
ethenoxyethene;1-methyl-4-(2-phenylethenyl)benzene
CID 175119334
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
palladium;tetraphenylphosphanium
CID 76575044
tris(tetrakis(4-methylphenyl)phosphanium);borate
CID 160602527
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium?
The IUPAC name of [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium (CID 58231993) is [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium?
The canonical SMILES for [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium is Cc1ccc(/C=C/c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium?
The InChIKey is JWNMJRJVMGYFMS-QURGRASLSA-N. The full InChI is InChI=1S/C33H28P/c1-27-17-19-28(20-18-27)21-22-29-23-25-33(26-24-29)34(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3/q+1/b22-21+.
What are the key properties of [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium?
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium has a molecular weight of 455.56 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium is sourced from PubChem (CID 58231993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).