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

C33H29P2+ — CID 100937997

IUPACdiphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
SMILESC(=C/[P+](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C33H29P2/c1-6-16-29(17-7-1)26-27-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(30-18-8-2-9-19-30)31-20-10-3-11-21-31/h1-27H,28H2/q+1/b27-26+
InChIKeyLWHUTXWKVZMXEY-CYYJNZCTSA-N
MW487.54 g/mol
LogP7.42
Rot. Bonds8

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

diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium (PubChem CID 100937997) has the molecular formula C33H29P2+ and a molecular weight of 487.54 g/mol. Its IUPAC name is diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium.

Molecular Properties

Compound Namediphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
PubChem CID100937997
Molecular FormulaC33H29P2+
Molecular Weight487.54 g/mol
Exact Mass487.17
IUPAC Namediphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
SMILESC(=C/[P+](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C33H29P2/c1-6-16-29(17-7-1)26-27-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(30-18-8-2-9-19-30)31-20-10-3-11-21-31/h1-27H,28H2/q+1/b27-26+
InChIKeyLWHUTXWKVZMXEY-CYYJNZCTSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
CID 67815660
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
palladium;triphenyl-[(E)-2-phenylethenyl]phosphanium;triphenylphosphane;bromide
CID 11147193
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 18626597
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
3-phenylprop-2-ene-1,1-diol
CID 54432533
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);4-diphenylphosphanylbutyl(diphenyl)phosphane;bis(palladium)
CID 11982125
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
4-phenyl-2-sulfanylbut-3-en-1-ol
CID 57241408

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The IUPAC name of diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium (CID 100937997) is diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium.
What is the SMILES notation for diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The canonical SMILES for diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium is C(=C/[P+](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium?
The InChIKey is LWHUTXWKVZMXEY-CYYJNZCTSA-N. The full InChI is InChI=1S/C33H29P2/c1-6-16-29(17-7-1)26-27-35(32-22-12-4-13-23-32,33-24-14-5-15-25-33)28-34(30-18-8-2-9-19-30)31-20-10-3-11-21-31/h1-27H,28H2/q+1/b27-26+.
What are the key properties of diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium?
diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium has a molecular weight of 487.54 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium is sourced from PubChem (CID 100937997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).