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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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).