carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))

C26H54NY23+ — CID 162270189

IUPACcarbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))
SMILESC.C.CC.CC.[CH2-]CC1=CCC(CC2=C(C)C(C[CH2-])C=C2)=[N+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C16H22N.2C2H6.2CH4.4CH3.23Y/c1-5-13-7-8-14(12(13)3)11-16-10-9-15(6-2)17(16)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-9,13H,1-2,5-6,10-11H2,3-4H3;2*1-2H3;2*1H4;4*1H3;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;4*-1;;;;;;;;;;;;;;;;;;;;;;2*+3
InChIKeyRYSHVPJMJXZVIY-UHFFFAOYSA-N
MW2425.56 g/mol
LogP8.77
Rot. Bonds4

About carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))

carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) (PubChem CID 162270189) has the molecular formula C26H54NY23+ and a molecular weight of 2425.56 g/mol. Its IUPAC name is carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)).

Molecular Properties

Compound Namecarbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))
PubChem CID162270189
Molecular FormulaC26H54NY23+
Molecular Weight2425.56 g/mol
Exact Mass2425.26
IUPAC Namecarbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))
SMILESC.C.CC.CC.[CH2-]CC1=CCC(CC2=C(C)C(C[CH2-])C=C2)=[N+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C16H22N.2C2H6.2CH4.4CH3.23Y/c1-5-13-7-8-14(12(13)3)11-16-10-9-15(6-2)17(16)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-9,13H,1-2,5-6,10-11H2,3-4H3;2*1-2H3;2*1H4;4*1H3;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;4*-1;;;;;;;;;;;;;;;;;;;;;;2*+3
InChIKeyRYSHVPJMJXZVIY-UHFFFAOYSA-N
XLogP8.77
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002425.56
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) with MolForge

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Related Compounds

5-butyl-2-[(3-ethyl-2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;carbanide;ethane;methane;undecakis(yttrium)
CID 162270186
5-butyl-2-[(3-ethyl-2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium
CID 162270187
5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium
CID 162270190

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))?
The IUPAC name of carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) (CID 162270189) is carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)).
What is the SMILES notation for carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))?
The canonical SMILES for carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) is C.C.CC.CC.[CH2-]CC1=CCC(CC2=C(C)C(C[CH2-])C=C2)=[N+]1C.[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))?
The InChIKey is RYSHVPJMJXZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N.2C2H6.2CH4.4CH3.23Y/c1-5-13-7-8-14(12(13)3)11-16-10-9-15(6-2)17(16)4;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h7-9,13H,1-2,5-6,10-11H2,3-4H3;2*1-2H3;2*1H4;4*1H3;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;4*-1;;;;;;;;;;;;;;;;;;;;;;2*+3.
What are the key properties of carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+))?
carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) has a molecular weight of 2425.56 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;5-ethyl-2-[(3-ethyl-2-methylcyclopenta-1,4-dien-1-yl)methyl]-1-methyl-3H-pyrrol-1-ium;methane;henicosakis(yttrium);bis(yttrium(3+)) is sourced from PubChem (CID 162270189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).