ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)

C126H236N14Y10-10 — CID 159554033

IUPACethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cncc1.CC(C)c1[c-]cncn1.CC(C)c1[c-]nccc1.CC(C)c1[c-]nccn1.CC(C)c1[c-]ncnc1.CC(C)c1[c-]nncc1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C7H9N2.10C3H8.10C2H6.10Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;10*1-3-2;10*1-2;;;;;;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;10*3H2,1-2H3;10*1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHTMHUVRWHGOGKL-UHFFFAOYSA-N
MW2836.43 g/mol
LogP42.03
Rot. Bonds10

About ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)

ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) (PubChem CID 159554033) has the molecular formula C126H236N14Y10-10 and a molecular weight of 2836.43 g/mol. Its IUPAC name is ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium).

Molecular Properties

Compound Nameethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)
PubChem CID159554033
Molecular FormulaC126H236N14Y10-10
Molecular Weight2836.43 g/mol
Exact Mass2834.95
IUPAC Nameethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cncc1.CC(C)c1[c-]cncn1.CC(C)c1[c-]nccc1.CC(C)c1[c-]nccn1.CC(C)c1[c-]ncnc1.CC(C)c1[c-]nncc1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C7H9N2.10C3H8.10C2H6.10Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;10*1-3-2;10*1-2;;;;;;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;10*3H2,1-2H3;10*1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHTMHUVRWHGOGKL-UHFFFAOYSA-N
XLogP42.03
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002836.43
LogP ≤ 542.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)?
The IUPAC name of ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) (CID 159554033) is ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium).
What is the SMILES notation for ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)?
The canonical SMILES for ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cncc1.CC(C)c1[c-]cncn1.CC(C)c1[c-]nccc1.CC(C)c1[c-]nccn1.CC(C)c1[c-]ncnc1.CC(C)c1[c-]nncc1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)?
The InChIKey is HTMHUVRWHGOGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.4C8H10N.5C7H9N2.10C3H8.10C2H6.10Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;10*1-3-2;10*1-2;;;;;;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;10*3H2,1-2H3;10*1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium)?
ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) has a molecular weight of 2836.43 g/mol, XLogP of 42.03, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;propan-2-ylbenzene;3-propan-2-yl-2H-pyrazin-2-ide;3-propan-2-yl-4H-pyridazin-4-ide;4-propan-2-yl-3H-pyridazin-3-ide;2-propan-2-yl-3H-pyridin-3-ide;3-propan-2-yl-2H-pyridin-2-ide;3-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-3H-pyridin-3-ide;4-propan-2-yl-5H-pyrimidin-5-ide;5-propan-2-yl-4H-pyrimidin-4-ide;decakis(yttrium) is sourced from PubChem (CID 159554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).