bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)

C44H36Cr2N16 — CID 139155258

IUPACbis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)
SMILESC(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.[Cr+2].[Cr+2]
InChIInChI=1S/4C11H9N4.2Cr/c4*1-3-7-12-10(5-1)14-9-15-11-6-2-4-8-13-11;;/h4*1-9H;;/q4*-1;2*+2
InChIKeyZNPCOJUEQYSQOE-UHFFFAOYSA-N
MW892.88 g/mol
LogP11.36
Rot. Bonds12

About bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)

bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide) (PubChem CID 139155258) has the molecular formula C44H36Cr2N16 and a molecular weight of 892.88 g/mol. Its IUPAC name is bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide).

Molecular Properties

Compound Namebis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)
PubChem CID139155258
Molecular FormulaC44H36Cr2N16
Molecular Weight892.88 g/mol
Exact Mass892.21
IUPAC Namebis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)
SMILESC(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.[Cr+2].[Cr+2]
InChIInChI=1S/4C11H9N4.2Cr/c4*1-3-7-12-10(5-1)14-9-15-11-6-2-4-8-13-11;;/h4*1-9H;;/q4*-1;2*+2
InChIKeyZNPCOJUEQYSQOE-UHFFFAOYSA-N
XLogP11.36
TPSA208.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.88
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)?
The IUPAC name of bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide) (CID 139155258) is bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide).
What is the SMILES notation for bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)?
The canonical SMILES for bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide) is C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.C(=N/c1ccccn1)\[N-]c1ccccn1.[Cr+2].[Cr+2].
What is the InChIKey of bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)?
The InChIKey is ZNPCOJUEQYSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H9N4.2Cr/c4*1-3-7-12-10(5-1)14-9-15-11-6-2-4-8-13-11;;/h4*1-9H;;/q4*-1;2*+2.
What are the key properties of bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide)?
bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide) has a molecular weight of 892.88 g/mol, XLogP of 11.36, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(2+));tetrakis(pyridin-2-yl-[(E)-pyridin-2-yliminomethyl]azanide) is sourced from PubChem (CID 139155258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).