bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate

C26H20B2F6N6O4Rh2S2-2 — CID 139170067

IUPACbis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].FB(F)F.FB(F)F.[Rh].[Rh].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/2C11H7N3S.2C2H4O2.2BF3.2Rh/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-2(3)4;2*2-1(3)4;;/h2*1-7H;2*1H3,(H,3,4);;;;/p-2
InChIKeyVIULMTUKDSQDQJ-UHFFFAOYSA-L
MW886.04 g/mol
LogP4.77
Rot. Bonds2

About bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate

bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate (PubChem CID 139170067) has the molecular formula C26H20B2F6N6O4Rh2S2-2 and a molecular weight of 886.04 g/mol. Its IUPAC name is bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate.

Molecular Properties

Compound Namebis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate
PubChem CID139170067
Molecular FormulaC26H20B2F6N6O4Rh2S2-2
Molecular Weight886.04 g/mol
Exact Mass885.92
IUPAC Namebis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].FB(F)F.FB(F)F.[Rh].[Rh].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1
InChIInChI=1S/2C11H7N3S.2C2H4O2.2BF3.2Rh/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-2(3)4;2*2-1(3)4;;/h2*1-7H;2*1H3,(H,3,4);;;;/p-2
InChIKeyVIULMTUKDSQDQJ-UHFFFAOYSA-L
XLogP4.77
TPSA157.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.04
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate?
The IUPAC name of bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate (CID 139170067) is bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate.
What is the SMILES notation for bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate?
The canonical SMILES for bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate is CC(=O)[O-].CC(=O)[O-].FB(F)F.FB(F)F.[Rh].[Rh].c1cnc2nc(-c3nccs3)ccc2c1.c1cnc2nc(-c3nccs3)ccc2c1.
What is the InChIKey of bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate?
The InChIKey is VIULMTUKDSQDQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H7N3S.2C2H4O2.2BF3.2Rh/c2*1-2-8-3-4-9(11-13-6-7-15-11)14-10(8)12-5-1;2*1-2(3)4;2*2-1(3)4;;/h2*1-7H;2*1H3,(H,3,4);;;;/p-2.
What are the key properties of bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate?
bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate has a molecular weight of 886.04 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1,8-naphthyridin-2-yl)-1,3-thiazole);bis(rhodium);bis(trifluoroborane);diacetate is sourced from PubChem (CID 139170067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).