octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))

C40H96Ce2N24 — CID 139185591

IUPACoctakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))
SMILESCN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.[Ce+4].[Ce+4]
InChIInChI=1S/8C5H12N3.2Ce/c8*1-7(2)5(6)8(3)4;;/h8*1-4H3;;/q8*-1;2*+4
InChIKeyHOWMCKABGUNNPR-UHFFFAOYSA-N
MW1193.61 g/mol
LogP0.28
Rot. Bonds

About octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))

octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)) (PubChem CID 139185591) has the molecular formula C40H96Ce2N24 and a molecular weight of 1193.61 g/mol. Its IUPAC name is octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)).

Molecular Properties

Compound Nameoctakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))
PubChem CID139185591
Molecular FormulaC40H96Ce2N24
Molecular Weight1193.61 g/mol
Exact Mass1192.64
IUPAC Nameoctakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))
SMILESCN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.[Ce+4].[Ce+4]
InChIInChI=1S/8C5H12N3.2Ce/c8*1-7(2)5(6)8(3)4;;/h8*1-4H3;;/q8*-1;2*+4
InChIKeyHOWMCKABGUNNPR-UHFFFAOYSA-N
XLogP0.28
TPSA230.24 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001193.61
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(N-[N-[azanidylidene(dimethylamino)methyl]-N-phenylcarbamimidoyl]anilino)-(dimethylamino)methylidene]azanide;dichloroplatinum(2+)
CID 134837226
(1E)-1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N-dimethylethanamine
CID 134897947
1,1,3,3-tetramethylguanidine azide
CID 131724047
1,1,3,3-tetramethylselenourea
CID 10976069
2-(dimethylamino)propan-2-ol
CID 11251968
1-(dimethylamino)ethylidenevanadium
CID 59928289
(E)-N,N,3,4,4-pentamethylpent-2-en-2-amine
CID 166688460
N,N,2,4,4-pentamethylpent-2-en-3-amine
CID 148932598
CID 11051082
CID 11051082
propan-2-ylideneazanide;yttrium
CID 59954797
azane;N,N-dimethylacetamide
CID 161145572
(1-azanidyl-2,2-dimethylpropylidene)azanide;bis(rubidium(1+))
CID 143087197

Frequently Asked Questions

What is the IUPAC name of octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))?
The IUPAC name of octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)) (CID 139185591) is octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)).
What is the SMILES notation for octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))?
The canonical SMILES for octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)) is CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.CN(C)C(=[N-])N(C)C.[Ce+4].[Ce+4].
What is the InChIKey of octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))?
The InChIKey is HOWMCKABGUNNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/8C5H12N3.2Ce/c8*1-7(2)5(6)8(3)4;;/h8*1-4H3;;/q8*-1;2*+4.
What are the key properties of octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))?
octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)) has a molecular weight of 1193.61 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+)) is sourced from PubChem (CID 139185591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).