bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)

C84H56Cd2N8O8 — CID 139080266

IUPACbis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cd+2].[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C16H11NO2.2C10H8N2.2Cd/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4*1-10H,(H,18,19);2*1-8H;;/q;;;;;;2*+2/p-4
InChIKeyXTMUBIUQYPFZHE-UHFFFAOYSA-J
MW1530.24 g/mol
LogP13.34
Rot. Bonds10

About bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)

bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine) (PubChem CID 139080266) has the molecular formula C84H56Cd2N8O8 and a molecular weight of 1530.24 g/mol. Its IUPAC name is bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)
PubChem CID139080266
Molecular FormulaC84H56Cd2N8O8
Molecular Weight1530.24 g/mol
Exact Mass1532.23
IUPAC Namebis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cd+2].[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C16H11NO2.2C10H8N2.2Cd/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4*1-10H,(H,18,19);2*1-8H;;/q;;;;;;2*+2/p-4
InChIKeyXTMUBIUQYPFZHE-UHFFFAOYSA-J
XLogP13.34
TPSA263.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.24
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

Tetraoxidanium;bis(4-[2-(4-carboxylatophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate);bis(nickel(2+));bis(2-pyridin-2-ylpyridine)
CID 168354232
2-(4-Carboxylato-2-pyridinyl)pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 168344486
Methyl 2,6-di(quinolin-8-yl)pyridine-4-carboxylate;4-phenyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
CID 139044078
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
CID 139059752
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
Di-mu-acetato-kappa^4^O:O'-bis[(4-aminobenzoato-kappa^2^O,O')(2,2'-bipyridine-kappa^2^N,N')cadmium(II)]
CID 139062091
Dicopper;bis(4-methylquinoline);tetrabenzoate
CID 139063116
Tetra-mu-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')-lanthanum(III)]
CID 139064772
cis-Bis[2-(2-pyridyl)-4-methoxycarbonylquinoline](2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 139064916
mu-Aqua-bis(mu-2'-carboxybiphenyl-2-carboxylato-kappa^2^O:O')bis[bis(2'-carboxybiphenyl-2-carboxylato-kappaO)(1,10-phenanthroline-kappa^2^N,N')cobalt(II)]
CID 139066953
Di-mu-hydroxo-bis[aqua(1,10-phenanthroline-kappa^2^N,N')copper(II)] terephthalate octahydrate
CID 139067860

Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine) (CID 139080266) is bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine) is O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cd+2].[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)?
The InChIKey is XTMUBIUQYPFZHE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H11NO2.2C10H8N2.2Cd/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4*1-10H,(H,18,19);2*1-8H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine)?
bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine) has a molecular weight of 1530.24 g/mol, XLogP of 13.34, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));tetrakis(2-phenylquinoline-4-carboxylate);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139080266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).