tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))

C30H27N3O15Tb2 — CID 173019668

IUPACtris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))
SMILESCC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.[Tb+3].[Tb+3]
InChIInChI=1S/3C10H11NO5.2Tb/c3*1-5(2)16-6-3-7(9(12)13)11-8(4-6)10(14)15;;/h3*3-5H,1-2H3,(H,12,13)(H,14,15);;/q;;;2*+3/p-6
InChIKeyUZSUNPBEUHQXQV-UHFFFAOYSA-H
MW987.40 g/mol
LogP-4.21
Rot. Bonds12

About tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))

tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)) (PubChem CID 173019668) has the molecular formula C30H27N3O15Tb2 and a molecular weight of 987.40 g/mol. Its IUPAC name is tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)).

Molecular Properties

Compound Nametris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))
PubChem CID173019668
Molecular FormulaC30H27N3O15Tb2
Molecular Weight987.40 g/mol
Exact Mass986.99
IUPAC Nametris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))
SMILESCC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.[Tb+3].[Tb+3]
InChIInChI=1S/3C10H11NO5.2Tb/c3*1-5(2)16-6-3-7(9(12)13)11-8(4-6)10(14)15;;/h3*3-5H,1-2H3,(H,12,13)(H,14,15);;/q;;;2*+3/p-6
InChIKeyUZSUNPBEUHQXQV-UHFFFAOYSA-H
XLogP-4.21
TPSA307.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.40
LogP ≤ 5-4.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate
CID 172703364
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
3-bromo-5-propan-2-yloxypyridin-1-ium-1-carboxylate
CID 156693438
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
calcium pyridine-2,6-dicarboxylate
CID 11708274
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
oxo-bis(3-propan-2-yloxyphenyl)phosphanium
CID 67298110
2-nitro-4-propan-2-yloxyphenol
CID 11820026
2-chloro-6-methyl-4-propan-2-yloxybenzoic acid
CID 140590140
4-(2-methylpropoxy)pyridine-2,6-dicarbohydrazide
CID 122386120

Frequently Asked Questions

What is the IUPAC name of tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))?
The IUPAC name of tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)) (CID 173019668) is tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)).
What is the SMILES notation for tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))?
The canonical SMILES for tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)) is CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.CC(C)Oc1cc(C(=O)[O-])nc(C(=O)[O-])c1.[Tb+3].[Tb+3].
What is the InChIKey of tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))?
The InChIKey is UZSUNPBEUHQXQV-UHFFFAOYSA-H. The full InChI is InChI=1S/3C10H11NO5.2Tb/c3*1-5(2)16-6-3-7(9(12)13)11-8(4-6)10(14)15;;/h3*3-5H,1-2H3,(H,12,13)(H,14,15);;/q;;;2*+3/p-6.
What are the key properties of tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))?
tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)) has a molecular weight of 987.40 g/mol, XLogP of -4.21, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+)) is sourced from PubChem (CID 173019668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).