dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)

C48H36Cu2N20 — CID 139066449

IUPACdicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)
SMILES[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1
InChIInChI=1S/2C10H8N2.4C7H5N4.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6(5-3-1)7-8-10-11-9-7;;/h2*1-8H;4*1-5H;;/q;;4*-1;2*+2
InChIKeyOCMLWPNZLFXOSU-UHFFFAOYSA-N
MW1020.05 g/mol
LogP6.27
Rot. Bonds6

About dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)

dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine) (PubChem CID 139066449) has the molecular formula C48H36Cu2N20 and a molecular weight of 1020.05 g/mol. Its IUPAC name is dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)
PubChem CID139066449
Molecular FormulaC48H36Cu2N20
Molecular Weight1020.05 g/mol
Exact Mass1018.20
IUPAC Namedicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)
SMILES[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1
InChIInChI=1S/2C10H8N2.4C7H5N4.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6(5-3-1)7-8-10-11-9-7;;/h2*1-8H;4*1-5H;;/q;;4*-1;2*+2
InChIKeyOCMLWPNZLFXOSU-UHFFFAOYSA-N
XLogP6.27
TPSA262.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.05
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
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Tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);tetrakis(iridium);3-methyl-2-phenylpyridine;2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 157348044
tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);bis(2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide)
CID 157531842
Tris(cobalt(2+));tris(cobalt(3+));hexakis(2-(4,5-difluoro-2-pyridinyl)-4,5-difluoropyridine);hexakis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tetrakis(2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)pyridine);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine)
CID 158185829
bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]pyridine);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);heptakis(iridium);bis(5-(2-methylphenyl)-2-phenylpyridine);3-methyl-2-phenylpyridine;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 158500388
tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(iridium);2-(5H-tetrazol-5-yl)pyridine;bis(2-[5-(trifluoromethyl)-3H-1,2,4-triazol-3-yl]pyridine)
CID 158853039
Tris(2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine);pentakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159143424

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine) (CID 139066449) is dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine) is [Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.c1ccc(-c2nnn[n-]2)cc1.
What is the InChIKey of dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)?
The InChIKey is OCMLWPNZLFXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.4C7H5N4.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-4-6(5-3-1)7-8-10-11-9-7;;/h2*1-8H;4*1-5H;;/q;;4*-1;2*+2.
What are the key properties of dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine)?
dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine) has a molecular weight of 1020.05 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(5-phenyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139066449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).