gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)

C12AuCl10-2 — CID 5247781

IUPACgold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)
SMILESClc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.Clc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.[Au]
InChIInChI=1S/2C6Cl5.Au/c2*7-2-1-3(8)5(10)6(11)4(2)9;/q2*-1;
InChIKeyDPGQNVQVBSNKLJ-UHFFFAOYSA-N
MW695.63 g/mol
LogP9.51
Rot. Bonds

About gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)

gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) (PubChem CID 5247781) has the molecular formula C12AuCl10-2 and a molecular weight of 695.63 g/mol. Its IUPAC name is gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide).

Molecular Properties

Compound Namegold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)
PubChem CID5247781
Molecular FormulaC12AuCl10-2
Molecular Weight695.63 g/mol
Exact Mass690.66
IUPAC Namegold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)
SMILESClc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.Clc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.[Au]
InChIInChI=1S/2C6Cl5.Au/c2*7-2-1-3(8)5(10)6(11)4(2)9;/q2*-1;
InChIKeyDPGQNVQVBSNKLJ-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.63
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)?
The IUPAC name of gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) (CID 5247781) is gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide).
What is the SMILES notation for gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)?
The canonical SMILES for gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) is Clc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.Clc1[c-]c(Cl)c(Cl)c(Cl)c1Cl.[Au].
What is the InChIKey of gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)?
The InChIKey is DPGQNVQVBSNKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6Cl5.Au/c2*7-2-1-3(8)5(10)6(11)4(2)9;/q2*-1;.
What are the key properties of gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide)?
gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) has a molecular weight of 695.63 g/mol, XLogP of 9.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for gold;bis(1,2,3,4,5-pentachlorobenzene-6-ide) is sourced from PubChem (CID 5247781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).