2-phenylethynylbenzene;tungsten;vanadium

C14H8VW-2 — CID 59905381

IUPAC2-phenylethynylbenzene;tungsten;vanadium
SMILESC(#Cc1cc[c-]cc1)c1cc[c-]cc1.[V].[W]
InChIInChI=1S/C14H8.V.W/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h3-10H;;/q-2;;
InChIKeyCZBROJBUBLZLHL-UHFFFAOYSA-N
MW411.00 g/mol
LogP2.68
Rot. Bonds

About 2-phenylethynylbenzene;tungsten;vanadium

2-phenylethynylbenzene;tungsten;vanadium (PubChem CID 59905381) has the molecular formula C14H8VW-2 and a molecular weight of 411.00 g/mol. Its IUPAC name is 2-phenylethynylbenzene;tungsten;vanadium.

Molecular Properties

Compound Name2-phenylethynylbenzene;tungsten;vanadium
PubChem CID59905381
Molecular FormulaC14H8VW-2
Molecular Weight411.00 g/mol
Exact Mass410.96
IUPAC Name2-phenylethynylbenzene;tungsten;vanadium
SMILESC(#Cc1cc[c-]cc1)c1cc[c-]cc1.[V].[W]
InChIInChI=1S/C14H8.V.W/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h3-10H;;/q-2;;
InChIKeyCZBROJBUBLZLHL-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 ≤ 500411.00
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;tungsten;vanadium?
The IUPAC name of 2-phenylethynylbenzene;tungsten;vanadium (CID 59905381) is 2-phenylethynylbenzene;tungsten;vanadium.
What is the SMILES notation for 2-phenylethynylbenzene;tungsten;vanadium?
The canonical SMILES for 2-phenylethynylbenzene;tungsten;vanadium is C(#Cc1cc[c-]cc1)c1cc[c-]cc1.[V].[W].
What is the InChIKey of 2-phenylethynylbenzene;tungsten;vanadium?
The InChIKey is CZBROJBUBLZLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8.V.W/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;tungsten;vanadium?
2-phenylethynylbenzene;tungsten;vanadium has a molecular weight of 411.00 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;tungsten;vanadium is sourced from PubChem (CID 59905381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).