2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)

C44H72N4Y4-4 — CID 159904174

IUPAC2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1ccc[c-]n1.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C9H12N.4C2H6.4Y/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;4*1-2;;;;/h4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;4*1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyFSUGQYGFBVARBU-UHFFFAOYSA-N
MW1012.71 g/mol
LogP12.81
Rot. Bonds

About 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)

2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium) (PubChem CID 159904174) has the molecular formula C44H72N4Y4-4 and a molecular weight of 1012.71 g/mol. Its IUPAC name is 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium).

Molecular Properties

Compound Name2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)
PubChem CID159904174
Molecular FormulaC44H72N4Y4-4
Molecular Weight1012.71 g/mol
Exact Mass1012.20
IUPAC Name2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)
SMILESCC.CC.CC.CC.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1ccc[c-]n1.[Y].[Y].[Y].[Y]
InChIInChI=1S/4C9H12N.4C2H6.4Y/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;4*1-2;;;;/h4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;4*1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyFSUGQYGFBVARBU-UHFFFAOYSA-N
XLogP12.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.71
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)?
The IUPAC name of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium) (CID 159904174) is 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium).
What is the SMILES notation for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)?
The canonical SMILES for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium) is CC.CC.CC.CC.CC(C)(C)c1c[c-]ccn1.CC(C)(C)c1c[c-]cnc1.CC(C)(C)c1c[c-]ncc1.CC(C)(C)c1ccc[c-]n1.[Y].[Y].[Y].[Y].
What is the InChIKey of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)?
The InChIKey is FSUGQYGFBVARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H12N.4C2H6.4Y/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;2*1-9(2,3)8-6-4-5-7-10-8;4*1-2;;;;/h4-6H,1-3H3;2*5-7H,1-3H3;4-6H,1-3H3;4*1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium)?
2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium) has a molecular weight of 1012.71 g/mol, XLogP of 12.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;5-tert-butyl-3H-pyridin-3-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;tetrakis(yttrium) is sourced from PubChem (CID 159904174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).