ethane;propan-2-ylbenzene;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;pentakis(yttrium)

C51H81N4Y5-5 — CID 161168045

IUPACethane;propan-2-ylbenzene;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;pentakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]cncc1.CC(C)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C2H6.5Y/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;5*1-2;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyZCSAHPIBEGPSMJ-UHFFFAOYSA-N
MW1194.77 g/mol
LogP15.75
Rot. Bonds5

About ethane;propan-2-ylbenzene;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;pentakis(yttrium)

ethane;propan-2-ylbenzene;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;pentakis(yttrium) (PubChem CID 161168045) has the molecular formula C51H81N4Y5-5 and a molecular weight of 1194.77 g/mol. Its IUPAC name is ethane;propan-2-ylbenzene;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;pentakis(yttrium).

Molecular Properties

Compound Nameethane;propan-2-ylbenzene;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;pentakis(yttrium)
PubChem CID161168045
Molecular FormulaC51H81N4Y5-5
Molecular Weight1194.77 g/mol
Exact Mass1194.18
IUPAC Nameethane;propan-2-ylbenzene;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;pentakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]cncc1.CC(C)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C2H6.5Y/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;5*1-2;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyZCSAHPIBEGPSMJ-UHFFFAOYSA-N
XLogP15.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.77
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;propan-2-ylbenzene;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;pentakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-ylbenzene;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;pentakis(yttrium)?
The IUPAC name of ethane;propan-2-ylbenzene;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;pentakis(yttrium) (CID 161168045) is ethane;propan-2-ylbenzene;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;pentakis(yttrium).
What is the SMILES notation for ethane;propan-2-ylbenzene;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;pentakis(yttrium)?
The canonical SMILES for ethane;propan-2-ylbenzene;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;pentakis(yttrium) is CC.CC.CC.CC.CC.CC(C)c1[c-]cccc1.CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnc1.CC(C)c1[c-]cncc1.CC(C)c1[c-]nccc1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;propan-2-ylbenzene;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;pentakis(yttrium)?
The InChIKey is ZCSAHPIBEGPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.4C8H10N.5C2H6.5Y/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;5*1-2;;;;;/h3-6,8H,1-2H3;2*3,5-7H,1-2H3;3-5,7H,1-2H3;3-4,6-7H,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of ethane;propan-2-ylbenzene;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;pentakis(yttrium)?
ethane;propan-2-ylbenzene;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;pentakis(yttrium) has a molecular weight of 1194.77 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-ylbenzene;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;pentakis(yttrium) is sourced from PubChem (CID 161168045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).