chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury

C28H20Cl2HgO — CID 165357424

IUPACchloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury
SMILESCl[Hg]C1=C(Cl)C(c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20ClO.ClH.Hg/c29-26-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)30-28(26,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H;1H;/q;;+1/p-1
InChIKeyPAXRAAUVVZLSMI-UHFFFAOYSA-M
MW643.96 g/mol
LogP7.59
Rot. Bonds5

About chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury

chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury (PubChem CID 165357424) has the molecular formula C28H20Cl2HgO and a molecular weight of 643.96 g/mol. Its IUPAC name is chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury.

Molecular Properties

Compound Namechloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury
PubChem CID165357424
Molecular FormulaC28H20Cl2HgO
Molecular Weight643.96 g/mol
Exact Mass644.06
IUPAC Namechloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury
SMILESCl[Hg]C1=C(Cl)C(c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20ClO.ClH.Hg/c29-26-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)30-28(26,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H;1H;/q;;+1/p-1
InChIKeyPAXRAAUVVZLSMI-UHFFFAOYSA-M
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.96
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury?
The IUPAC name of chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury (CID 165357424) is chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury.
What is the SMILES notation for chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury?
The canonical SMILES for chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury is Cl[Hg]C1=C(Cl)C(c2ccccc2)(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury?
The InChIKey is PAXRAAUVVZLSMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H20ClO.ClH.Hg/c29-26-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)30-28(26,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-20H;1H;/q;;+1/p-1.
What are the key properties of chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury?
chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury has a molecular weight of 643.96 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury is sourced from PubChem (CID 165357424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).