2-phenylethynylbenzene;bis(yttrium)

C14H8Y2-2 — CID 135041480

IUPAC2-phenylethynylbenzene;bis(yttrium)
SMILESC(#Cc1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y]
InChIInChI=1S/C14H8.2Y/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h3-10H;;/q-2;;
InChIKeyZAOJIKOTVFRIOI-UHFFFAOYSA-N
MW354.03 g/mol
LogP2.68
Rot. Bonds

About 2-phenylethynylbenzene;bis(yttrium)

2-phenylethynylbenzene;bis(yttrium) (PubChem CID 135041480) has the molecular formula C14H8Y2-2 and a molecular weight of 354.03 g/mol. Its IUPAC name is 2-phenylethynylbenzene;bis(yttrium).

Molecular Properties

Compound Name2-phenylethynylbenzene;bis(yttrium)
PubChem CID135041480
Molecular FormulaC14H8Y2-2
Molecular Weight354.03 g/mol
Exact Mass353.88
IUPAC Name2-phenylethynylbenzene;bis(yttrium)
SMILESC(#Cc1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y]
InChIInChI=1S/C14H8.2Y/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h3-10H;;/q-2;;
InChIKeyZAOJIKOTVFRIOI-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.03
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethynylbenzene;bis(yttrium)?
The IUPAC name of 2-phenylethynylbenzene;bis(yttrium) (CID 135041480) is 2-phenylethynylbenzene;bis(yttrium).
What is the SMILES notation for 2-phenylethynylbenzene;bis(yttrium)?
The canonical SMILES for 2-phenylethynylbenzene;bis(yttrium) is C(#Cc1cc[c-]cc1)c1cc[c-]cc1.[Y].[Y].
What is the InChIKey of 2-phenylethynylbenzene;bis(yttrium)?
The InChIKey is ZAOJIKOTVFRIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8.2Y/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h3-10H;;/q-2;;.
What are the key properties of 2-phenylethynylbenzene;bis(yttrium)?
2-phenylethynylbenzene;bis(yttrium) has a molecular weight of 354.03 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethynylbenzene;bis(yttrium) is sourced from PubChem (CID 135041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).