bis(phosphoryl trichloride);quinoline

C9H7Cl6NO2P2 — CID 162140508

IUPACbis(phosphoryl trichloride);quinoline
SMILESO=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2Cl3OP/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4/h1-7H;;
InChIKeyZJWDGPRPHREINL-UHFFFAOYSA-N
MW435.83 g/mol
LogP7.86
Rot. Bonds

About bis(phosphoryl trichloride);quinoline

bis(phosphoryl trichloride);quinoline (PubChem CID 162140508) has the molecular formula C9H7Cl6NO2P2 and a molecular weight of 435.83 g/mol. Its IUPAC name is bis(phosphoryl trichloride);quinoline.

Molecular Properties

Compound Namebis(phosphoryl trichloride);quinoline
PubChem CID162140508
Molecular FormulaC9H7Cl6NO2P2
Molecular Weight435.83 g/mol
Exact Mass432.81
IUPAC Namebis(phosphoryl trichloride);quinoline
SMILESO=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2Cl3OP/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4/h1-7H;;
InChIKeyZJWDGPRPHREINL-UHFFFAOYSA-N
XLogP7.86
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinoline
CID 76974643
CID 160566295
CID 160566295
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
ethene;formaldehyde;quinoline
CID 142226527
dichloroplatinum;quinoline
CID 6098032
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759

Frequently Asked Questions

What is the IUPAC name of bis(phosphoryl trichloride);quinoline?
The IUPAC name of bis(phosphoryl trichloride);quinoline (CID 162140508) is bis(phosphoryl trichloride);quinoline.
What is the SMILES notation for bis(phosphoryl trichloride);quinoline?
The canonical SMILES for bis(phosphoryl trichloride);quinoline is O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.c1ccc2ncccc2c1.
What is the InChIKey of bis(phosphoryl trichloride);quinoline?
The InChIKey is ZJWDGPRPHREINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.2Cl3OP/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4/h1-7H;;.
What are the key properties of bis(phosphoryl trichloride);quinoline?
bis(phosphoryl trichloride);quinoline has a molecular weight of 435.83 g/mol, XLogP of 7.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phosphoryl trichloride);quinoline is sourced from PubChem (CID 162140508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).