trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium

C14H11Cl4NP+ — CID 11376988

IUPACtrichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium
SMILESCl/C(=C/[P+](Cl)(Cl)Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11Cl4NP/c15-14(11-20(16,17)18)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H/q+1/b14-11-
InChIKeyVPUVSNQAZVNTJG-KAMYIIQDSA-N
MW366.04 g/mol
LogP7.34
Rot. Bonds4

About trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium

trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium (PubChem CID 11376988) has the molecular formula C14H11Cl4NP+ and a molecular weight of 366.04 g/mol. Its IUPAC name is trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium.

Molecular Properties

Compound Nametrichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium
PubChem CID11376988
Molecular FormulaC14H11Cl4NP+
Molecular Weight366.04 g/mol
Exact Mass363.94
IUPAC Nametrichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium
SMILESCl/C(=C/[P+](Cl)(Cl)Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11Cl4NP/c15-14(11-20(16,17)18)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H/q+1/b14-11-
InChIKeyVPUVSNQAZVNTJG-KAMYIIQDSA-N
XLogP7.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.04
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium?
The IUPAC name of trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium (CID 11376988) is trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium.
What is the SMILES notation for trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium?
The canonical SMILES for trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium is Cl/C(=C/[P+](Cl)(Cl)Cl)N(c1ccccc1)c1ccccc1.
What is the InChIKey of trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium?
The InChIKey is VPUVSNQAZVNTJG-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H11Cl4NP/c15-14(11-20(16,17)18)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H/q+1/b14-11-.
What are the key properties of trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium?
trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium has a molecular weight of 366.04 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(E)-2-chloro-2-(N-phenylanilino)ethenyl]phosphanium is sourced from PubChem (CID 11376988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).