diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane

C18H16Cl6I+ — CID 87623404

IUPACdiphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.C6H6Cl6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-10H;1-6H/q+1;
InChIKeyAVZCRDPUNSDENX-UHFFFAOYSA-N
MW571.95 g/mol
LogP3.46
Rot. Bonds2

About diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane

diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 87623404) has the molecular formula C18H16Cl6I+ and a molecular weight of 571.95 g/mol. Its IUPAC name is diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Namediphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID87623404
Molecular FormulaC18H16Cl6I+
Molecular Weight571.95 g/mol
Exact Mass568.84
IUPAC Namediphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C12H10I.C6H6Cl6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-10H;1-6H/q+1;
InChIKeyAVZCRDPUNSDENX-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.95
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane (CID 87623404) is diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is AVZCRDPUNSDENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I.C6H6Cl6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-10H;1-6H/q+1;.
What are the key properties of diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane?
diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 571.95 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyliodanium;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 87623404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).