dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)

C52H44Cu2N4O4 — CID 139173107

IUPACdicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)
SMILES[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H17NO.2C6H6NO.2Cu/c2*22-19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17;2*8-5-6-3-1-2-4-7-6;;/h2*1-15,20,22H;2*1-4H,5H2;;/q;;2*-1;2*+2/p-2/b2*21-15+;;;;
InChIKeyJFPSAWHZHSZOGI-ZWSWBUSDSA-L
MW916.04 g/mol
LogP7.82
Rot. Bonds10

About dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)

dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate) (PubChem CID 139173107) has the molecular formula C52H44Cu2N4O4 and a molecular weight of 916.04 g/mol. Its IUPAC name is dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate).

Molecular Properties

Compound Namedicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)
PubChem CID139173107
Molecular FormulaC52H44Cu2N4O4
Molecular Weight916.04 g/mol
Exact Mass914.20
IUPAC Namedicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)
SMILES[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H17NO.2C6H6NO.2Cu/c2*22-19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17;2*8-5-6-3-1-2-4-7-6;;/h2*1-15,20,22H;2*1-4H,5H2;;/q;;2*-1;2*+2/p-2/b2*21-15+;;;;
InChIKeyJFPSAWHZHSZOGI-ZWSWBUSDSA-L
XLogP7.82
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.04
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)?
The IUPAC name of dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate) (CID 139173107) is dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate).
What is the SMILES notation for dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)?
The canonical SMILES for dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate) is [Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1.[O-]c1ccccc1/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)?
The InChIKey is JFPSAWHZHSZOGI-ZWSWBUSDSA-L. The full InChI is InChI=1S/2C20H17NO.2C6H6NO.2Cu/c2*22-19-14-8-7-13-18(19)15-21-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17;2*8-5-6-3-1-2-4-7-6;;/h2*1-15,20,22H;2*1-4H,5H2;;/q;;2*-1;2*+2/p-2/b2*21-15+;;;;.
What are the key properties of dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate)?
dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate) has a molecular weight of 916.04 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-(benzhydryliminomethyl)phenolate);bis(pyridin-2-ylmethanolate) is sourced from PubChem (CID 139173107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).