(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate

C32H26NOP — CID 134876072

IUPAC(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
SMILES[O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26NOP/c34-32(33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26-
InChIKeyDWGGRGXGYGGBIE-FSRJSHLRSA-N
MW471.54 g/mol
LogP5.98
Rot. Bonds7

About (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate

(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate (PubChem CID 134876072) has the molecular formula C32H26NOP and a molecular weight of 471.54 g/mol. Its IUPAC name is (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate.

Molecular Properties

Compound Name(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
PubChem CID134876072
Molecular FormulaC32H26NOP
Molecular Weight471.54 g/mol
Exact Mass471.18
IUPAC Name(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
SMILES[O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H26NOP/c34-32(33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26-
InChIKeyDWGGRGXGYGGBIE-FSRJSHLRSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-fluoro-2-(N-methylanilino)ethenyl]-triphenylphosphanium
CID 11786312
(Z)-3-methylselanyl-1-triphenylphosphaniumylprop-1-en-2-olate
CID 12642931
sodium N,N-diphenylcarbamothioate
CID 142702473
trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium
CID 11376988
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
potassium N,N-diphenylcarbamodithioate
CID 23672385
[(E)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-triphenylphosphanium
CID 170905252
2,2-bis(ethylsulfanyl)ethenyl-triphenylphosphanium bromide
CID 86040735
[(E)-2-carboxyethenyl]-triphenylphosphanium
CID 6332531
[(E)-2-(dimethylamino)ethenyl]-triphenylphosphanium
CID 11079101
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
CID 10894428
[(Z)-2-hydroxy-3-methylhex-1-enyl]-triphenylphosphanium
CID 177488102

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate?
The IUPAC name of (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate (CID 134876072) is (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate.
What is the SMILES notation for (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate?
The canonical SMILES for (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate is [O-]/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate?
The InChIKey is DWGGRGXGYGGBIE-FSRJSHLRSA-N. The full InChI is InChI=1S/C32H26NOP/c34-32(33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/b32-26-.
What are the key properties of (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate?
(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate has a molecular weight of 471.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate is sourced from PubChem (CID 134876072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).