carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)

C27H39N3Y9-6 — CID 158807312

IUPACcarbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)
SMILESCC(C)c1cc[c-]cc1.CC(C)c1cc[c-]nc1.CC(C)c1cn[c-]nc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.C8H10N.C7H9N2.3CH3.9Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;;;;;;;;;;;;/h4-8H,1-2H3;3-4,6-7H,1-2H3;3-4,6H,1-2H3;3*1H3;;;;;;;;;/q6*-1;;;;;;;;;
InChIKeyVQMPEYAKWWRHBK-UHFFFAOYSA-N
MW1205.78 g/mol
LogP7.34
Rot. Bonds3

About carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)

carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) (PubChem CID 158807312) has the molecular formula C27H39N3Y9-6 and a molecular weight of 1205.78 g/mol. Its IUPAC name is carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium).

Molecular Properties

Compound Namecarbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)
PubChem CID158807312
Molecular FormulaC27H39N3Y9-6
Molecular Weight1205.78 g/mol
Exact Mass1205.47
IUPAC Namecarbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)
SMILESCC(C)c1cc[c-]cc1.CC(C)c1cc[c-]nc1.CC(C)c1cn[c-]nc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H11.C8H10N.C7H9N2.3CH3.9Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;;;;;;;;;;;;/h4-8H,1-2H3;3-4,6-7H,1-2H3;3-4,6H,1-2H3;3*1H3;;;;;;;;;/q6*-1;;;;;;;;;
InChIKeyVQMPEYAKWWRHBK-UHFFFAOYSA-N
XLogP7.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.78
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) with MolForge

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Related Compounds

carbanide;ethane;methane;propan-2-ylbenzene;yttrium
CID 160657951
lithium propan-2-ylbenzene
CID 13144758
propan-2-ylbenzene;tungsten
CID 58901967
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
5-methyl-2H-pyridin-2-ide;yttrium
CID 58607063
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
2-deuterio-4-propan-2-ylpyridine
CID 175918465
ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160766869
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241

Frequently Asked Questions

What is the IUPAC name of carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)?
The IUPAC name of carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) (CID 158807312) is carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium).
What is the SMILES notation for carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)?
The canonical SMILES for carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) is CC(C)c1cc[c-]cc1.CC(C)c1cc[c-]nc1.CC(C)c1cn[c-]nc1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)?
The InChIKey is VQMPEYAKWWRHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.C8H10N.C7H9N2.3CH3.9Y/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;;;;;;;;;;;;/h4-8H,1-2H3;3-4,6-7H,1-2H3;3-4,6H,1-2H3;3*1H3;;;;;;;;;/q6*-1;;;;;;;;;.
What are the key properties of carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium)?
carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) has a molecular weight of 1205.78 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;propan-2-ylbenzene;5-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-2H-pyrimidin-2-ide;nonakis(yttrium) is sourced from PubChem (CID 158807312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).