hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)

C83H89Dy2N7O6 — CID 139129337

IUPAChexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)
SMILESCc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Dy+3].[Dy+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/6C8H10O.7C5H5N.2Dy/c6*1-6-4-3-5-7(2)8(6)9;7*1-2-4-6-5-3-1;;/h6*3-5,9H,1-2H3;7*1-5H;;/q;;;;;;;;;;;;;2*+3/p-6
InChIKeyQHAKKFOZLLIHPW-UHFFFAOYSA-H
MW1605.67 g/mol
LogP15.83
Rot. Bonds

About hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)

hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine) (PubChem CID 139129337) has the molecular formula C83H89Dy2N7O6 and a molecular weight of 1605.67 g/mol. Its IUPAC name is hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine).

Molecular Properties

Compound Namehexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)
PubChem CID139129337
Molecular FormulaC83H89Dy2N7O6
Molecular Weight1605.67 g/mol
Exact Mass1607.55
IUPAC Namehexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)
SMILESCc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Dy+3].[Dy+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/6C8H10O.7C5H5N.2Dy/c6*1-6-4-3-5-7(2)8(6)9;7*1-2-4-6-5-3-1;;/h6*3-5,9H,1-2H3;7*1-5H;;/q;;;;;;;;;;;;;2*+3/p-6
InChIKeyQHAKKFOZLLIHPW-UHFFFAOYSA-H
XLogP15.83
TPSA228.59 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.67
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)?
The IUPAC name of hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine) (CID 139129337) is hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine).
What is the SMILES notation for hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)?
The canonical SMILES for hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine) is Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Dy+3].[Dy+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)?
The InChIKey is QHAKKFOZLLIHPW-UHFFFAOYSA-H. The full InChI is InChI=1S/6C8H10O.7C5H5N.2Dy/c6*1-6-4-3-5-7(2)8(6)9;7*1-2-4-6-5-3-1;;/h6*3-5,9H,1-2H3;7*1-5H;;/q;;;;;;;;;;;;;2*+3/p-6.
What are the key properties of hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine)?
hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine) has a molecular weight of 1605.67 g/mol, XLogP of 15.83, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2,6-dimethylphenolate);bis(dysprosium(3+));heptakis(pyridine) is sourced from PubChem (CID 139129337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).