carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)

C18H24Y3-6 — CID 175586700

IUPACcarbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
SMILES[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/3C5H5.3CH3.3Y/c3*1-2-4-5-3-1;;;;;;/h3*1-5H;3*1H3;;;/q6*-1;;;
InChIKeyNNBYMHYDSHSJAB-UHFFFAOYSA-N
MW507.11 g/mol
LogP5.56
Rot. Bonds

About carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)

carbanide;tris(cyclopenta-1,3-diene);tris(yttrium) (PubChem CID 175586700) has the molecular formula C18H24Y3-6 and a molecular weight of 507.11 g/mol. Its IUPAC name is carbanide;tris(cyclopenta-1,3-diene);tris(yttrium).

Molecular Properties

Compound Namecarbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
PubChem CID175586700
Molecular FormulaC18H24Y3-6
Molecular Weight507.11 g/mol
Exact Mass506.91
IUPAC Namecarbanide;tris(cyclopenta-1,3-diene);tris(yttrium)
SMILES[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/3C5H5.3CH3.3Y/c3*1-2-4-5-3-1;;;;;;/h3*1-5H;3*1H3;;;/q6*-1;;;
InChIKeyNNBYMHYDSHSJAB-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.11
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;chromium(4+);bis(cyclopenta-1,3-diene);chloride
CID 172803177
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
carbanide;cyclopenta-1,3-diene;manganese
CID 140917109
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 24941969
chromium(4+);bis(cyclopenta-1,3-diene);dichloride
CID 158887640
cyclopenta-1,3-diene;uranium;pentachloride
CID 163599803
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide
CID 160804559
bis(cyclopenta-1,3-diene);zirconium(4+);dichloride;hydrate
CID 172805895
carbanide;bis(cyclopenta-1,3-diene);hydron;zirconium(3+)
CID 175233850
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)?
The IUPAC name of carbanide;tris(cyclopenta-1,3-diene);tris(yttrium) (CID 175586700) is carbanide;tris(cyclopenta-1,3-diene);tris(yttrium).
What is the SMILES notation for carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)?
The canonical SMILES for carbanide;tris(cyclopenta-1,3-diene);tris(yttrium) is [CH3-].[CH3-].[CH3-].[Y].[Y].[Y].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)?
The InChIKey is NNBYMHYDSHSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5.3CH3.3Y/c3*1-2-4-5-3-1;;;;;;/h3*1-5H;3*1H3;;;/q6*-1;;;.
What are the key properties of carbanide;tris(cyclopenta-1,3-diene);tris(yttrium)?
carbanide;tris(cyclopenta-1,3-diene);tris(yttrium) has a molecular weight of 507.11 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(cyclopenta-1,3-diene);tris(yttrium) is sourced from PubChem (CID 175586700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).