bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)

C52H56Cd2N4O4 — CID 139129333

IUPACbis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)
SMILESCc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C8H10O.4C5H5N.2Cd/c4*1-6-4-3-5-7(2)8(6)9;4*1-2-4-6-5-3-1;;/h4*3-5,9H,1-2H3;4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyBYNCWJDJDOSRFD-UHFFFAOYSA-J
MW1025.87 g/mol
LogP9.83
Rot. Bonds

About bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)

bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine) (PubChem CID 139129333) has the molecular formula C52H56Cd2N4O4 and a molecular weight of 1025.87 g/mol. Its IUPAC name is bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine).

Molecular Properties

Compound Namebis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)
PubChem CID139129333
Molecular FormulaC52H56Cd2N4O4
Molecular Weight1025.87 g/mol
Exact Mass1028.24
IUPAC Namebis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)
SMILESCc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C8H10O.4C5H5N.2Cd/c4*1-6-4-3-5-7(2)8(6)9;4*1-2-4-6-5-3-1;;/h4*3-5,9H,1-2H3;4*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyBYNCWJDJDOSRFD-UHFFFAOYSA-J
XLogP9.83
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.87
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
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
4,4,6,6-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
Bis(4-(4-hydroxyphenyl)phenol);tetrakis(pyridine-4-carbonitrile)
CID 139038971
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 bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)?
The IUPAC name of bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine) (CID 139129333) is bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine).
What is the SMILES notation for bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)?
The canonical SMILES for bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine) is Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].Cc1cccc(C)c1[O-].[Cd+2].[Cd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)?
The InChIKey is BYNCWJDJDOSRFD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H10O.4C5H5N.2Cd/c4*1-6-4-3-5-7(2)8(6)9;4*1-2-4-6-5-3-1;;/h4*3-5,9H,1-2H3;4*1-5H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine)?
bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine) has a molecular weight of 1025.87 g/mol, XLogP of 9.83, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));tetrakis(2,6-dimethylphenolate);tetrakis(pyridine) is sourced from PubChem (CID 139129333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).