nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate

C99H99Cl9Cu9N27O36 — CID 139180182

IUPACnonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1
InChIInChI=1S/9C9H7N3.9C2H4.9ClHO4.9Cu/c9*1-2-5-11-8(3-1)9-4-6-10-7-12-9;9*1-2;9*2-1(3,4)5;;;;;;;;;/h9*1-7H;9*1-2H2;9*(H,2,3,4,5);;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1/p-9
InChIKeyVAQSTGMSTHKENJ-UHFFFAOYSA-E
MW3134.02 g/mol
LogP-21.76
Rot. Bonds9

About nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate

nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate (PubChem CID 139180182) has the molecular formula C99H99Cl9Cu9N27O36 and a molecular weight of 3134.02 g/mol. Its IUPAC name is nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate.

Molecular Properties

Compound Namenonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate
PubChem CID139180182
Molecular FormulaC99H99Cl9Cu9N27O36
Molecular Weight3134.02 g/mol
Exact Mass3122.76
IUPAC Namenonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1
InChIInChI=1S/9C9H7N3.9C2H4.9ClHO4.9Cu/c9*1-2-5-11-8(3-1)9-4-6-10-7-12-9;9*1-2;9*2-1(3,4)5;;;;;;;;;/h9*1-7H;9*1-2H2;9*(H,2,3,4,5);;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1/p-9
InChIKeyVAQSTGMSTHKENJ-UHFFFAOYSA-E
XLogP-21.76
TPSA1178.19 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds9
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003134.02
LogP ≤ 5-21.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

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Related Compounds

benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139154705
bis(6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide);pentakis(manganese(2+));decaperchlorate
CID 139045238
Pentakis(2,6-dipyridin-2-ylpyridine);pentakis(lead(2+));decaperchlorate
CID 139060571
Tris(acetonitrile);bis(iron(2+));tris(2-pyridin-2-yl-5-[[3-[(6-pyridin-2-yl-3-pyridinyl)methyl]imidazol-1-ium-1-yl]methyl]pyridine);heptaperchlorate
CID 139136735
Disilver;bis(4,6-dipyridin-2-ylpyrimidin-2-amine);dinitrate
CID 139138722
tetrakis(cobalt(2+));tetrakis(N-methyl-N-[(E)-1-[5-[(E)-C-methyl-N-[methyl(pyridin-2-yl)amino]carbonimidoyl]pyrazin-2-yl]ethylideneamino]pyridin-2-amine);octaperchlorate
CID 139143582
Tetrakis(cobalt(3+));tetrakis(oxygen(2-));tetrakis(2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine);tetraperchlorate
CID 139161475
Bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139162696
2-Imidazol-3-id-2-ylimidazol-3-ide;bis(osmium(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139166550
Octasilver;hexafluorosilicon(2-);nitromethane;octakis(4-pyridin-2-ylpyrimidine);hexatetrafluoroborate
CID 139179646
copper;zinc;tetrakis(acetonitrile);N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]imidazol-3-id-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;triperchlorate
CID 139183809
Tetrasilver;tetrakis(4-pyridin-2-ylpyrimidine);tetratetrafluoroborate
CID 139184942

Frequently Asked Questions

What is the IUPAC name of nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate?
The IUPAC name of nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate (CID 139180182) is nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate.
What is the SMILES notation for nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate?
The canonical SMILES for nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.c1ccc(-c2ccncn2)nc1.
What is the InChIKey of nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate?
The InChIKey is VAQSTGMSTHKENJ-UHFFFAOYSA-E. The full InChI is InChI=1S/9C9H7N3.9C2H4.9ClHO4.9Cu/c9*1-2-5-11-8(3-1)9-4-6-10-7-12-9;9*1-2;9*2-1(3,4)5;;;;;;;;;/h9*1-7H;9*1-2H2;9*(H,2,3,4,5);;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;9*+1/p-9.
What are the key properties of nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate?
nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate has a molecular weight of 3134.02 g/mol, XLogP of -21.76, 9 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate is sourced from PubChem (CID 139180182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).