dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium

CH4Cl5N3P3+ — CID 139211549

IUPACdichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium
SMILES[H]N=P(C)(Cl)N=P(Cl)(Cl)N=[P+](Cl)Cl
InChIInChI=1S/CH4Cl5N3P3/c1-11(4,7)9-12(5,6)8-10(2)3/h7H,1H3/q+1
InChIKeyIJLXDNHAAYWXNO-UHFFFAOYSA-N
MW328.25 g/mol
LogP6.86
Rot. Bonds2

About dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium

dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium (PubChem CID 139211549) has the molecular formula CH4Cl5N3P3+ and a molecular weight of 328.25 g/mol. Its IUPAC name is dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium.

Molecular Properties

Compound Namedichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium
PubChem CID139211549
Molecular FormulaCH4Cl5N3P3+
Molecular Weight328.25 g/mol
Exact Mass325.81
IUPAC Namedichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium
SMILES[H]N=P(C)(Cl)N=P(Cl)(Cl)N=[P+](Cl)Cl
InChIInChI=1S/CH4Cl5N3P3/c1-11(4,7)9-12(5,6)8-10(2)3/h7H,1H3/q+1
InChIKeyIJLXDNHAAYWXNO-UHFFFAOYSA-N
XLogP6.86
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium?
The IUPAC name of dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium (CID 139211549) is dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium.
What is the SMILES notation for dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium?
The canonical SMILES for dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium is [H]N=P(C)(Cl)N=P(Cl)(Cl)N=[P+](Cl)Cl.
What is the InChIKey of dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium?
The InChIKey is IJLXDNHAAYWXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4Cl5N3P3/c1-11(4,7)9-12(5,6)8-10(2)3/h7H,1H3/q+1.
What are the key properties of dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium?
dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium has a molecular weight of 328.25 g/mol, XLogP of 6.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[dichloro-[chloro(methyl)phosphinimyl]imino-λ5-phosphanyl]iminophosphanium is sourced from PubChem (CID 139211549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).