dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

C36H30Cu2N4O10 — CID 139147413

IUPACdicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESC(=C/c1ccc(/C=C/c2ccncc2)cc1)\c1ccncc1.CO.CO.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2].[Cu+2]
InChIInChI=1S/C20H16N2.2C7H5NO4.2CH4O.2Cu/c1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19;2*9-6(10)4-2-1-3-5(8-4)7(11)12;2*1-2;;/h1-16H;2*1-3H,(H,9,10)(H,11,12);2*2H,1H3;;/q;;;;;2*+2/p-4/b7-5+,8-6+;;;;;;
InChIKeyOMYZWXZMHIVWDG-JRIMZTKASA-J
MW805.75 g/mol
LogP-0.35
Rot. Bonds8

About dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 139147413) has the molecular formula C36H30Cu2N4O10 and a molecular weight of 805.75 g/mol. Its IUPAC name is dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Namedicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID139147413
Molecular FormulaC36H30Cu2N4O10
Molecular Weight805.75 g/mol
Exact Mass804.06
IUPAC Namedicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESC(=C/c1ccc(/C=C/c2ccncc2)cc1)\c1ccncc1.CO.CO.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2].[Cu+2]
InChIInChI=1S/C20H16N2.2C7H5NO4.2CH4O.2Cu/c1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19;2*9-6(10)4-2-1-3-5(8-4)7(11)12;2*1-2;;/h1-16H;2*1-3H,(H,9,10)(H,11,12);2*2H,1H3;;/q;;;;;2*+2/p-4/b7-5+,8-6+;;;;;;
InChIKeyOMYZWXZMHIVWDG-JRIMZTKASA-J
XLogP-0.35
TPSA252.54 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.75
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159992137
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540
[Ru(III)(bda)(pic)2NH3][PF6]
CID 138455541
Tris(5-butylpyridine-2-carboxylate);iron(3+)
CID 139058692
bis(mu-4-chlorobenzoato-kappa^2^O:O')(4-chlorobenzoato-kappa^2^O,O')(4-chlorobenzoato-kappaO)tetrakis(mu^3^-2-pyridylmethanolato-kappa^4^N,O:O:O)tetracopper(II)
CID 139061183
mu-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
CID 139067420

Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (CID 139147413) is dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is C(=C/c1ccc(/C=C/c2ccncc2)cc1)\c1ccncc1.CO.CO.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is OMYZWXZMHIVWDG-JRIMZTKASA-J. The full InChI is InChI=1S/C20H16N2.2C7H5NO4.2CH4O.2Cu/c1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19;2*9-6(10)4-2-1-3-5(8-4)7(11)12;2*1-2;;/h1-16H;2*1-3H,(H,9,10)(H,11,12);2*2H,1H3;;/q;;;;;2*+2/p-4/b7-5+,8-6+;;;;;;.
What are the key properties of dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 805.75 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;bis(pyridine-2,6-dicarboxylate);4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 139147413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).