CID 173356886

C28H32Br4GeO2Te+ — CID 173356886

IUPAC—
SMILESBr.Br.Br.Br.COc1ccc(C[Te+]Cc2ccc(OC)cc2)cc1.c1ccc([Ge]c2ccccc2)cc1
InChIInChI=1S/C16H18O2Te.C12H10Ge.4BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h3-10H,11-12H2,1-2H3;1-10H;4*1H/q+1;;;;;
InChIKeyRPRPLLFHSGSMSL-UHFFFAOYSA-N
MW920.39 g/mol
LogP6.76
Rot. Bonds8

About CID 173356886

CID 173356886 (PubChem CID 173356886) has the molecular formula C28H32Br4GeO2Te+ and a molecular weight of 920.39 g/mol.

Molecular Properties

Compound NameCID 173356886
PubChem CID173356886
Molecular FormulaC28H32Br4GeO2Te+
Molecular Weight920.39 g/mol
Exact Mass919.74
IUPAC Name—
SMILESBr.Br.Br.Br.COc1ccc(C[Te+]Cc2ccc(OC)cc2)cc1.c1ccc([Ge]c2ccccc2)cc1
InChIInChI=1S/C16H18O2Te.C12H10Ge.4BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h3-10H,11-12H2,1-2H3;1-10H;4*1H/q+1;;;;;
InChIKeyRPRPLLFHSGSMSL-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.39
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 173356886?
The IUPAC name of CID 173356886 (CID 173356886) is not available.
What is the SMILES notation for CID 173356886?
The canonical SMILES for CID 173356886 is Br.Br.Br.Br.COc1ccc(C[Te+]Cc2ccc(OC)cc2)cc1.c1ccc([Ge]c2ccccc2)cc1.
What is the InChIKey of CID 173356886?
The InChIKey is RPRPLLFHSGSMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Te.C12H10Ge.4BrH/c1-17-15-7-3-13(4-8-15)11-19-12-14-5-9-16(18-2)10-6-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h3-10H,11-12H2,1-2H3;1-10H;4*1H/q+1;;;;;.
What are the key properties of CID 173356886?
CID 173356886 has a molecular weight of 920.39 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173356886 is sourced from PubChem (CID 173356886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).