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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Related Compounds

2,6-Bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol
CID 11756790
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514
2,6-Dipyridin-3-yl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate
CID 11060708
(1E,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one;(1E,4E)-1,5-bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-2-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-3-ylpenta-1,4-dien-3-one;(1E,4E)-1,5-dipyridin-4-ylpenta-1,4-dien-3-one;(1E,4E)-1-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 157487019
2-((Bis(pyridin-2-ylmethyl)amino)methyl)-6-(((2-hydroxybenzyl)(pyridin-2-ylmethyl)amino)methyl)-4-methylphenol
CID 11445866
2-[[Benzyl(pyridin-2-ylmethyl)amino]methyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol
CID 12105606
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;bis(4-pyridin-4-ylpyridine)
CID 71401574
4-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-hydroxyphenyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenol
CID 91576029
4,4,6,6-Tetrapyridin-2-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 101450386
2,6-Bis[bis(2-pyridylmethyl) aminoethyl]-4-methylphenol
CID 129693569
5,11,23-Trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
CID 137309359
2-[[(2-Hydroxy-3,5-dimethylphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
CID 139039287

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).