ethane;propane;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)

C66H121N4Y5-5 — CID 159100914

IUPACethane;propane;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.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C3H8.5C2H6.5Y/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*1-3-2;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*3H2,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;;;;;;
InChIKeyDYYFDXPJZFLTNF-UHFFFAOYSA-N
MW1415.25 g/mol
LogP22.83
Rot. Bonds5

About ethane;propane;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;propane;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 159100914) has the molecular formula C66H121N4Y5-5 and a molecular weight of 1415.25 g/mol. Its IUPAC name is ethane;propane;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;propane;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 CID159100914
Molecular FormulaC66H121N4Y5-5
Molecular Weight1415.25 g/mol
Exact Mass1414.49
IUPAC Nameethane;propane;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.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.4C8H10N.5C3H8.5C2H6.5Y/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*1-3-2;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*3H2,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;;;;;;
InChIKeyDYYFDXPJZFLTNF-UHFFFAOYSA-N
XLogP22.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.25
LogP ≤ 522.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;propane;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanidylbenzene;methanidylbenzene;2-methanidyl-4H-pyridin-4-ide;4-methanidyl-2H-pyridin-2-ide;5-methanidyl-2H-pyridin-2-ide;5-methanidyl-3H-pyridin-3-ide;6-methanidyl-3H-pyridin-3-ide;tetradecakis(2-methylpropane);henicosakis(vanadium);tetradecakis(vanadium(2+))
CID 157197426
carbanide;ethane;bis(5-ethyl-2H-pyridin-2-ide);bis(6-ethyl-3H-pyridin-3-ide);propane;tetrakis(yttrium)
CID 157773362
2,2-dimethylpropylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4H-pyridin-4-ide;4-(2,2-dimethylpropyl)-2H-pyridin-2-ide;5-(2,2-dimethylpropyl)-2H-pyridin-2-ide;5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;6-(2,2-dimethylpropyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);heptakis(vanadium(2+))
CID 158132513
2,2-dimethylpropylbenzene;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-4H-pyridin-4-ide;4-(2,2-dimethylpropyl)-2H-pyridin-2-ide;5-(2,2-dimethylpropyl)-2H-pyridin-2-ide;5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;6-(2,2-dimethylpropyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))
CID 158409283
2-tert-butyl-4H-pyridin-4-ide;4-tert-butyl-2H-pyridin-2-ide;6-tert-butyl-2H-pyridin-2-ide;ethane;methane;tris(yttrium)
CID 158461286
3-Propan-2-yl-2,5-dihydropyridine-2,5-diide;3-propan-2-yl-2,6-dihydropyridine-2,6-diide;4-propan-2-yl-2,5-dihydropyridine-2,5-diide;4-propan-2-yl-2,6-dihydropyridine-2,6-diide;6-propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten
CID 158664811
platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide
CID 159125334
3,6-dimethyl-2,5-dihydropyridine-2,5-diide;2,5-dimethyl-3H-pyridin-3-ide;4,6-dimethyl-2H-pyridin-2-ide;4,6-dimethyl-3H-pyridin-3-ide;5,6-dimethyl-3H-pyridin-3-ide;hexakis(yttrium)
CID 159171358
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
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
propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))
CID 160794973
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

Frequently Asked Questions

What is the IUPAC name of ethane;propane;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;propane;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 159100914) is ethane;propane;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;propane;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;propane;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.CCC.CCC.CCC.CCC.CCC.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;propane;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 DYYFDXPJZFLTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.4C8H10N.5C3H8.5C2H6.5Y/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*1-3-2;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*3H2,1-2H3;5*1-2H3;;;;;/q5*-1;;;;;;;;;;;;;;;.
What are the key properties of ethane;propane;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;propane;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 1415.25 g/mol, XLogP of 22.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;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 159100914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).