carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))

C87H214N10OY12+4 — CID 160762132

IUPACcarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1c2cccc[n+]2c(CC)n1C.CCc1oc(C)c(CC)[n+]1C.CN(C)C.CN(C)C.CN(C)C.[CH2-]c1c(C)[n+](C)c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H17N2.C11H20N2.C10H19N2.C9H16NO.3C3H9N.C3H8.7C2H6.8CH4.11CH3.12Y/c1-4-10-11-8-6-7-9-14(11)12(5-2)13(10)3;1-8(2)7-11-12(5)9(3)10(4)13(11)6;1-6-9-8(3)11(4)10(7-2)12(9)5;1-5-8-7(3)11-9(6-2)10(8)4;3*1-4(2)3;1-3-2;7*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-9H,4-5H2,1-3H3;8H,3,7H2,1-2,4-6H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-3H3;3H2,1-2H3;7*1-2H3;8*1H4;11*1H3;;;;;;;;;;;;/q+1;;2*+1;;;;;;;;;;;;;;;;;;;;11*-1;;;;;;;;;4*+3
InChIKeyREOLTBHQPGTCDD-UHFFFAOYSA-N
MW2483.61 g/mol
LogP25.39
Rot. Bonds8

About carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))

carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) (PubChem CID 160762132) has the molecular formula C87H214N10OY12+4 and a molecular weight of 2483.61 g/mol. Its IUPAC name is carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)).

Molecular Properties

Compound Namecarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))
PubChem CID160762132
Molecular FormulaC87H214N10OY12+4
Molecular Weight2483.61 g/mol
Exact Mass2482.57
IUPAC Namecarbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))
SMILESC.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1c2cccc[n+]2c(CC)n1C.CCc1oc(C)c(CC)[n+]1C.CN(C)C.CN(C)C.CN(C)C.[CH2-]c1c(C)[n+](C)c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H17N2.C11H20N2.C10H19N2.C9H16NO.3C3H9N.C3H8.7C2H6.8CH4.11CH3.12Y/c1-4-10-11-8-6-7-9-14(11)12(5-2)13(10)3;1-8(2)7-11-12(5)9(3)10(4)13(11)6;1-6-9-8(3)11(4)10(7-2)12(9)5;1-5-8-7(3)11-9(6-2)10(8)4;3*1-4(2)3;1-3-2;7*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-9H,4-5H2,1-3H3;8H,3,7H2,1-2,4-6H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-3H3;3H2,1-2H3;7*1-2H3;8*1H4;11*1H3;;;;;;;;;;;;/q+1;;2*+1;;;;;;;;;;;;;;;;;;;;11*-1;;;;;;;;;4*+3
InChIKeyREOLTBHQPGTCDD-UHFFFAOYSA-N
XLogP25.39
TPSA53.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002483.61
LogP ≤ 525.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))?
The IUPAC name of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) (CID 160762132) is carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)).
What is the SMILES notation for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))?
The canonical SMILES for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) is C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CCC.CCc1c(C)n(C)c(CC)[n+]1C.CCc1c2cccc[n+]2c(CC)n1C.CCc1oc(C)c(CC)[n+]1C.CN(C)C.CN(C)C.CN(C)C.[CH2-]c1c(C)[n+](C)c(CC(C)C)n1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))?
The InChIKey is REOLTBHQPGTCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2.C11H20N2.C10H19N2.C9H16NO.3C3H9N.C3H8.7C2H6.8CH4.11CH3.12Y/c1-4-10-11-8-6-7-9-14(11)12(5-2)13(10)3;1-8(2)7-11-12(5)9(3)10(4)13(11)6;1-6-9-8(3)11(4)10(7-2)12(9)5;1-5-8-7(3)11-9(6-2)10(8)4;3*1-4(2)3;1-3-2;7*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-9H,4-5H2,1-3H3;8H,3,7H2,1-2,4-6H3;6-7H2,1-5H3;5-6H2,1-4H3;3*1-3H3;3H2,1-2H3;7*1-2H3;8*1H4;11*1H3;;;;;;;;;;;;/q+1;;2*+1;;;;;;;;;;;;;;;;;;;;11*-1;;;;;;;;;4*+3.
What are the key properties of carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+))?
carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) has a molecular weight of 2483.61 g/mol, XLogP of 25.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,4-diethyl-3,5-dimethyl-1,3-oxazol-3-ium;1,3-diethyl-2-methylimidazo[1,5-a]pyridin-4-ium;2,4-diethyl-1,3,5-trimethylimidazol-3-ium;tris(N,N-dimethylmethanamine);ethane;methane;4-methanidyl-1,3,5-trimethyl-2-(2-methylpropyl)imidazol-1-ium;propane;octakis(yttrium);tetrakis(yttrium(3+)) is sourced from PubChem (CID 160762132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).