bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate

C68H50Cl2Mn2N8O14 — CID 139087926

IUPACbis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=C([O-])c1ccccc1C(=O)c1ccccc1.O=C([O-])c1ccccc1C(=O)c1ccccc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C14H10O3.4C10H8N2.2ClHO4.2Mn/c2*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9H,(H,16,17);4*1-8H;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyBRPFAOXYPKRDMO-UHFFFAOYSA-J
MW1383.97 g/mol
LogP1.62
Rot. Bonds10

About bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate

bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139087926) has the molecular formula C68H50Cl2Mn2N8O14 and a molecular weight of 1383.97 g/mol. Its IUPAC name is bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Namebis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139087926
Molecular FormulaC68H50Cl2Mn2N8O14
Molecular Weight1383.97 g/mol
Exact Mass1382.16
IUPAC Namebis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate
SMILESO=C([O-])c1ccccc1C(=O)c1ccccc1.O=C([O-])c1ccccc1C(=O)c1ccccc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C14H10O3.4C10H8N2.2ClHO4.2Mn/c2*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9H,(H,16,17);4*1-8H;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4
InChIKeyBRPFAOXYPKRDMO-UHFFFAOYSA-J
XLogP1.62
TPSA402.00 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.97
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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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
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);methyl 4-[6-[5-(4-methoxycarbonylphenyl)-2-pyridinyl]-3-pyridinyl]benzoate;dichloride
CID 160717367
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
tris(2,2'-bipyridine-kappa^2^N,N')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate-benzene-1,2,4,5-tetracarboxylic acid-water (1/1/2)
CID 139061392
mu-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
CID 139067420
Bis(mu-3-sulfonatobenzoato)bis[bis(2,2'-bipyridine)manganese(II)] dihydrate
CID 139070052
Tetra-mu-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]
CID 139070079
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456
Tetrakis(mu-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]
CID 139074156
Bis(2,2'-bipyridine-kappa^2^N,N')(4-methylbenzoato-kappa^2^O,O')copper(II) iodide hemihydrate
CID 139075222

Frequently Asked Questions

What is the IUPAC name of bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate (CID 139087926) is bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate is O=C([O-])c1ccccc1C(=O)c1ccccc1.O=C([O-])c1ccccc1C(=O)c1ccccc1.[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is BRPFAOXYPKRDMO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H10O3.4C10H8N2.2ClHO4.2Mn/c2*15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-9H,(H,16,17);4*1-8H;2*(H,2,3,4,5);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate?
bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 1383.97 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzoylbenzoate);bis(manganese(2+));tetrakis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139087926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).