[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium

C34H30N2OP+ — CID 6018832

IUPAC[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium
SMILESCc1ccc(N/C=C(\NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N2OP/c1-27-22-24-29(25-23-27)35-26-33(36-34(37)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-26,35H,1H3/p+1/b33-26+
InChIKeyVJRKWQHYOTVURB-MHTZHOPKSA-O
MW513.60 g/mol
LogP6.63
Rot. Bonds8

About [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium

[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium (PubChem CID 6018832) has the molecular formula C34H30N2OP+ and a molecular weight of 513.60 g/mol. Its IUPAC name is [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium
PubChem CID6018832
Molecular FormulaC34H30N2OP+
Molecular Weight513.60 g/mol
Exact Mass513.21
IUPAC Name[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium
SMILESCc1ccc(N/C=C(\NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N2OP/c1-27-22-24-29(25-23-27)35-26-33(36-34(37)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-26,35H,1H3/p+1/b33-26+
InChIKeyVJRKWQHYOTVURB-MHTZHOPKSA-O
XLogP6.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-(2,2-dimethylpropanoylamino)-2-(4-methylanilino)ethenyl]-triphenylphosphanium chloride
CID 45129069
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
[2-(carboxymethylsulfanyl)-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951271
[(Z)-1-benzamido-2-sulfanylethenyl]-triphenylphosphanium
CID 6912453
(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
CID 2784111
[1-[(4-methylbenzoyl)amino]-2-propylsulfanylethenyl]-triphenylphosphanium iodide
CID 71952486
[(E)-1-benzamido-2-ethylsulfanylethenyl]-triphenylphosphanium;hydroiodide
CID 126957776
[(E)-2-benzamido-3-(4-methylanilino)-3-oxo-1-sulfanylprop-1-enyl]-triphenylphosphanium
CID 6217459
(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
CID 3090276
(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
[(Z)-2-benzamido-3-(4-methylanilino)-3-oxo-1-phenylprop-1-enyl]-triphenylphosphanium perchlorate
CID 45048502
(1-benzamido-2-ethylsulfanylethenyl)-triphenylphosphanium perchlorate
CID 71952488

Frequently Asked Questions

What is the IUPAC name of [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium?
The IUPAC name of [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium (CID 6018832) is [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium is Cc1ccc(N/C=C(\NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium?
The InChIKey is VJRKWQHYOTVURB-MHTZHOPKSA-O. The full InChI is InChI=1S/C34H29N2OP/c1-27-22-24-29(25-23-27)35-26-33(36-34(37)28-14-6-2-7-15-28)38(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-26,35H,1H3/p+1/b33-26+.
What are the key properties of [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium?
[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium has a molecular weight of 513.60 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 6018832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).