[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid

C33H26Cl3NO5P+ — CID 126958406

IUPAC[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
SMILESO=C(N/C(=C(\Cl)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C33H24Cl2NOP.ClHO4/c34-27-23-21-25(22-24-27)31(35)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;2-1(3,4)5/h1-24H;(H,2,3,4,5)/p+1/b33-31+;
InChIKeyXLYSHOZXSAXPOH-IFVAIELPSA-O
MW653.91 g/mol
LogP3.51
Rot. Bonds7

About [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid

[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid (PubChem CID 126958406) has the molecular formula C33H26Cl3NO5P+ and a molecular weight of 653.91 g/mol. Its IUPAC name is [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid.

Molecular Properties

Compound Name[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
PubChem CID126958406
Molecular FormulaC33H26Cl3NO5P+
Molecular Weight653.91 g/mol
Exact Mass652.06
IUPAC Name[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid
SMILESO=C(N/C(=C(\Cl)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C33H24Cl2NOP.ClHO4/c34-27-23-21-25(22-24-27)31(35)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;2-1(3,4)5/h1-24H;(H,2,3,4,5)/p+1/b33-31+;
InChIKeyXLYSHOZXSAXPOH-IFVAIELPSA-O
XLogP3.51
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.91
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium
CID 54733099
[1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 45048396
[(Z)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium perchlorate
CID 90489741
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
CID 126959055
[(E)-1-benzamido-2-chloro-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
CID 11964770
[(Z)-1-benzamido-2-chloro-2-ethylsulfanylethenyl]-triphenylphosphanium;perchloric acid
CID 126957753
[(Z)-2-chloro-1-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)sulfanylethenyl]-triphenylphosphanium chloride
CID 44657111
(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
(Z)-2-[(4-chlorobenzoyl)amino]-2-triphenylphosphaniumylethenethiolate
CID 135443043
[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethenyl]-triphenylphosphanium chloride
CID 11964917
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate
CID 75366372
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277

Frequently Asked Questions

What is the IUPAC name of [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid?
The IUPAC name of [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid (CID 126958406) is [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid.
What is the SMILES notation for [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid?
The canonical SMILES for [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid is O=C(N/C(=C(\Cl)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid?
The InChIKey is XLYSHOZXSAXPOH-IFVAIELPSA-O. The full InChI is InChI=1S/C33H24Cl2NOP.ClHO4/c34-27-23-21-25(22-24-27)31(35)33(36-32(37)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;2-1(3,4)5/h1-24H;(H,2,3,4,5)/p+1/b33-31+;.
What are the key properties of [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid?
[(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid has a molecular weight of 653.91 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-benzamido-2-chloro-2-(4-chlorophenyl)ethenyl]-triphenylphosphanium;perchloric acid is sourced from PubChem (CID 126958406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).