bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate

C62H46N4O12Tb2 — CID 139070079

IUPACbis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Tb+3].[Tb+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.6C7H6O2.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-7(9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H,8,9);;/q;;;;;;;;2*+3/p-6
InChIKeyQRZBIABGYBHVSR-UHFFFAOYSA-H
MW1356.92 g/mol
LogP4.59
Rot. Bonds8

About bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate

bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate (PubChem CID 139070079) has the molecular formula C62H46N4O12Tb2 and a molecular weight of 1356.92 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate
PubChem CID139070079
Molecular FormulaC62H46N4O12Tb2
Molecular Weight1356.92 g/mol
Exact Mass1356.16
IUPAC Namebis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Tb+3].[Tb+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.6C7H6O2.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-7(9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H,8,9);;/q;;;;;;;;2*+3/p-6
InChIKeyQRZBIABGYBHVSR-UHFFFAOYSA-H
XLogP4.59
TPSA292.34 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001356.92
LogP ≤ 54.59
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
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);ruthenium(2+);diisothiocyanate
CID 60017239
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 169055341
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;methyl 4-[6-[5-(4-methoxycarbonylphenyl)-2-pyridinyl]-3-pyridinyl]benzoate
CID 169055346
Benzoic acid;manganese;tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 15377128
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru(II)(bda)(isoq)2NH3
CID 138455537
Ru(II)(bda)(pic)2NH3
CID 138455540
[Ru(III)(bda)(pic)2NH3][PF6]
CID 138455541
Di-mu-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]
CID 139059505

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate (CID 139070079) is bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Tb+3].[Tb+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate?
The InChIKey is QRZBIABGYBHVSR-UHFFFAOYSA-H. The full InChI is InChI=1S/2C10H8N2.6C7H6O2.2Tb/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;6*8-7(9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H,8,9);;/q;;;;;;;;2*+3/p-6.
What are the key properties of bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate?
bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate has a molecular weight of 1356.92 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);bis(terbium(3+));hexabenzoate is sourced from PubChem (CID 139070079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).