copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper

C58H50Cl2Cu2N6O6+2 — CID 162299780

IUPACcopper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper
SMILESCl[Cu]Cl.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.[Cu+2]
InChIInChI=1S/2C29H25N3O3.2ClH.2Cu/c2*33-29-15-13-23-12-14-27(17-28(23)35-29)34-21-26-11-6-10-25(31-26)20-32(18-22-7-2-1-3-8-22)19-24-9-4-5-16-30-24;;;;/h2*1-17H,18-21H2;2*1H;;/q;;;;2*+2/p-2
InChIKeyVNLNHKFLWSBULK-UHFFFAOYSA-L
MW1125.07 g/mol
LogP12.10
Rot. Bonds18

About copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper

copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper (PubChem CID 162299780) has the molecular formula C58H50Cl2Cu2N6O6+2 and a molecular weight of 1125.07 g/mol. Its IUPAC name is copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper.

Molecular Properties

Compound Namecopper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper
PubChem CID162299780
Molecular FormulaC58H50Cl2Cu2N6O6+2
Molecular Weight1125.07 g/mol
Exact Mass1122.17
IUPAC Namecopper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper
SMILESCl[Cu]Cl.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.[Cu+2]
InChIInChI=1S/2C29H25N3O3.2ClH.2Cu/c2*33-29-15-13-23-12-14-27(17-28(23)35-29)34-21-26-11-6-10-25(31-26)20-32(18-22-7-2-1-3-8-22)19-24-9-4-5-16-30-24;;;;/h2*1-17H,18-21H2;2*1H;;/q;;;;2*+2/p-2
InChIKeyVNLNHKFLWSBULK-UHFFFAOYSA-L
XLogP12.10
TPSA136.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.07
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper?
The IUPAC name of copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper (CID 162299780) is copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper.
What is the SMILES notation for copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper?
The canonical SMILES for copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper is Cl[Cu]Cl.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.O=c1ccc2ccc(OCc3cccc(CN(Cc4ccccc4)Cc4ccccn4)n3)cc2o1.[Cu+2].
What is the InChIKey of copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper?
The InChIKey is VNLNHKFLWSBULK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C29H25N3O3.2ClH.2Cu/c2*33-29-15-13-23-12-14-27(17-28(23)35-29)34-21-26-11-6-10-25(31-26)20-32(18-22-7-2-1-3-8-22)19-24-9-4-5-16-30-24;;;;/h2*1-17H,18-21H2;2*1H;;/q;;;;2*+2/p-2.
What are the key properties of copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper?
copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper has a molecular weight of 1125.07 g/mol, XLogP of 12.10, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(7-[[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methoxy]chromen-2-one);dichlorocopper is sourced from PubChem (CID 162299780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).