bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)

C60H48Ce2N18 — CID 139126164

IUPACbis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)
SMILES[Ce+3].[Ce+3].c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/6C10H8N3.2Ce/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3
InChIKeyUNSYLTBANLTSIX-UHFFFAOYSA-N
MW1301.40 g/mol
LogP13.80
Rot. Bonds10

About bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)

bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine) (PubChem CID 139126164) has the molecular formula C60H48Ce2N18 and a molecular weight of 1301.40 g/mol. Its IUPAC name is bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine).

Molecular Properties

Compound Namebis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)
PubChem CID139126164
Molecular FormulaC60H48Ce2N18
Molecular Weight1301.40 g/mol
Exact Mass1300.24
IUPAC Namebis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)
SMILES[Ce+3].[Ce+3].c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/6C10H8N3.2Ce/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3
InChIKeyUNSYLTBANLTSIX-UHFFFAOYSA-N
XLogP13.80
TPSA238.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.40
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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CID 139152973
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CID 173409418
CID 173409418
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CID 123501557

Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)?
The IUPAC name of bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine) (CID 139126164) is bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine).
What is the SMILES notation for bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)?
The canonical SMILES for bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine) is [Ce+3].[Ce+3].c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc(/N=c2\cccc[n-]2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)?
The InChIKey is UNSYLTBANLTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H8N3.2Ce/c6*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;/h6*1-8H;;/q6*-1;2*+3.
What are the key properties of bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine)?
bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine) has a molecular weight of 1301.40 g/mol, XLogP of 13.80, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));tetrakis(dipyridin-2-ylazanide);bis((Z)-N-pyridin-2-ylpyridin-1-id-2-imine) is sourced from PubChem (CID 139126164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).