CID 23421101

C14H8Cl8N2P+ — CID 23421101

IUPAC—
SMILESClC(Cl)(Cl)C(Cl)(Cl)[P-]1(Cl)(Cl)(Cl)[n+]2cccc3ccc4ccc[n+]1c4c32
InChIInChI=1S/C14H8Cl8N2P/c15-13(16,17)14(18,19)25(20,21,22)23-7-1-3-9-5-6-10-4-2-8-24(25)12(10)11(9)23/h1-8H/q+1
InChIKeyJZDHANHWBUBZBH-UHFFFAOYSA-N
MW518.83 g/mol
LogP7.16
Rot. Bonds1

About CID 23421101

CID 23421101 (PubChem CID 23421101) has the molecular formula C14H8Cl8N2P+ and a molecular weight of 518.83 g/mol.

Molecular Properties

Compound NameCID 23421101
PubChem CID23421101
Molecular FormulaC14H8Cl8N2P+
Molecular Weight518.83 g/mol
Exact Mass514.79
IUPAC Name—
SMILESClC(Cl)(Cl)C(Cl)(Cl)[P-]1(Cl)(Cl)(Cl)[n+]2cccc3ccc4ccc[n+]1c4c32
InChIInChI=1S/C14H8Cl8N2P/c15-13(16,17)14(18,19)25(20,21,22)23-7-1-3-9-5-6-10-4-2-8-24(25)12(10)11(9)23/h1-8H/q+1
InChIKeyJZDHANHWBUBZBH-UHFFFAOYSA-N
XLogP7.16
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.83
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium
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Frequently Asked Questions

What is the IUPAC name of CID 23421101?
The IUPAC name of CID 23421101 (CID 23421101) is not available.
What is the SMILES notation for CID 23421101?
The canonical SMILES for CID 23421101 is ClC(Cl)(Cl)C(Cl)(Cl)[P-]1(Cl)(Cl)(Cl)[n+]2cccc3ccc4ccc[n+]1c4c32.
What is the InChIKey of CID 23421101?
The InChIKey is JZDHANHWBUBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl8N2P/c15-13(16,17)14(18,19)25(20,21,22)23-7-1-3-9-5-6-10-4-2-8-24(25)12(10)11(9)23/h1-8H/q+1.
What are the key properties of CID 23421101?
CID 23421101 has a molecular weight of 518.83 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23421101 is sourced from PubChem (CID 23421101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).