(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium

C33H27NOPS+ — CID 3090276

IUPAC(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
SMILESO=C(NC(=CSc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26NOPS/c35-33(27-16-6-1-7-17-27)34-32(26-37-31-24-14-5-15-25-31)36(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-26H/p+1
InChIKeySJYZHOXSPQHPAG-UHFFFAOYSA-O
MW516.63 g/mol
LogP7.00
Rot. Bonds8

About (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium

(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium (PubChem CID 3090276) has the molecular formula C33H27NOPS+ and a molecular weight of 516.63 g/mol. Its IUPAC name is (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
PubChem CID3090276
Molecular FormulaC33H27NOPS+
Molecular Weight516.63 g/mol
Exact Mass516.15
IUPAC Name(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium
SMILESO=C(NC(=CSc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26NOPS/c35-33(27-16-6-1-7-17-27)34-32(26-37-31-24-14-5-15-25-31)36(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-26H/p+1
InChIKeySJYZHOXSPQHPAG-UHFFFAOYSA-O
XLogP7.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-benzamido-2-ethylsulfanylethenyl]-triphenylphosphanium;hydroiodide
CID 126957776
[(Z)-1-benzamido-2-sulfanylethenyl]-triphenylphosphanium
CID 6912453
(1-benzamido-2-chloroethenyl)-triphenylphosphanium chloride
CID 2784111
(1-benzamido-2-ethylsulfanylethenyl)-triphenylphosphanium perchlorate
CID 71952488
(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
[2-(carboxymethylsulfanyl)-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium
CID 71951271
(Z)-2-[(4-chlorobenzoyl)amino]-2-triphenylphosphaniumylethenethiolate
CID 135443043
[1-[(4-methylbenzoyl)amino]-2-propylsulfanylethenyl]-triphenylphosphanium iodide
CID 71952486
[(E)-1-benzamido-2-(4-methylanilino)ethenyl]-triphenylphosphanium
CID 6018832
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
[(Z)-2-benzamido-1-cyano-2-methylsulfanylethenyl]-triphenylphosphanium
CID 6199623

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium?
The IUPAC name of (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium (CID 3090276) is (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium.
What is the SMILES notation for (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium?
The canonical SMILES for (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium is O=C(NC(=CSc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium?
The InChIKey is SJYZHOXSPQHPAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C33H26NOPS/c35-33(27-16-6-1-7-17-27)34-32(26-37-31-24-14-5-15-25-31)36(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-26H/p+1.
What are the key properties of (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium?
(1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium has a molecular weight of 516.63 g/mol, XLogP of 7.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-2-phenylsulfanylethenyl)-triphenylphosphanium is sourced from PubChem (CID 3090276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).