benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)

C23H37NY2-2 — CID 158064746

IUPACbenzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)
SMILESC1=CCC=C1.CC.CC.CC.[CH3-].[Y].[Y].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C6H5.C5H5N.C5H6.3C2H6.CH3.2Y/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2;;;/h2*1-5H;1-4H,5H2;3*1-2H3;1H3;;/q-1;;;;;;-1;;
InChIKeyKOCCXZRNWVNURK-UHFFFAOYSA-N
MW505.37 g/mol
LogP7.59
Rot. Bonds

About benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)

benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium) (PubChem CID 158064746) has the molecular formula C23H37NY2-2 and a molecular weight of 505.37 g/mol. Its IUPAC name is benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium).

Molecular Properties

Compound Namebenzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)
PubChem CID158064746
Molecular FormulaC23H37NY2-2
Molecular Weight505.37 g/mol
Exact Mass505.11
IUPAC Namebenzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)
SMILESC1=CCC=C1.CC.CC.CC.[CH3-].[Y].[Y].[c-]1ccccc1.c1ccncc1
InChIInChI=1S/C6H5.C5H5N.C5H6.3C2H6.CH3.2Y/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2;;;/h2*1-5H;1-4H,5H2;3*1-2H3;1H3;;/q-1;;;;;;-1;;
InChIKeyKOCCXZRNWVNURK-UHFFFAOYSA-N
XLogP7.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.37
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
CID 157418692
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CID 159650211
ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
CID 162081028
benzene;methanol;vanadium
CID 58080465
CID 91266138
CID 91266138
benzene;bis(pyridine);trimethylborane
CID 91370331
benzene;methanol;rhenium
CID 159592647
ethane;methanamine;pyridine
CID 90762425
bis(pyridine);hydrate;hydrochloride
CID 173340794
benzene;manganese;chloride
CID 175787776
azanide;benzene;nickel(2+)
CID 88925435

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)?
The IUPAC name of benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium) (CID 158064746) is benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium).
What is the SMILES notation for benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)?
The canonical SMILES for benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium) is C1=CCC=C1.CC.CC.CC.[CH3-].[Y].[Y].[c-]1ccccc1.c1ccncc1.
What is the InChIKey of benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)?
The InChIKey is KOCCXZRNWVNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H5N.C5H6.3C2H6.CH3.2Y/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;3*1-2;;;/h2*1-5H;1-4H,5H2;3*1-2H3;1H3;;/q-1;;;;;;-1;;.
What are the key properties of benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium)?
benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium) has a molecular weight of 505.37 g/mol, XLogP of 7.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;cyclopenta-1,3-diene;ethane;pyridine;bis(yttrium) is sourced from PubChem (CID 158064746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).