1,2-diethynyl-9-phenyl-9H-fluorene

C23H14 — CID 22600887

IUPAC1,2-diethynyl-9-phenyl-9H-fluorene
SMILESC#Cc1ccc2c(c1C#C)C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C23H14/c1-3-16-14-15-21-19-12-8-9-13-20(19)22(23(21)18(16)4-2)17-10-6-5-7-11-17/h1-2,5-15,22H
InChIKeyXMZSVVHYNWLTMV-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.81
Rot. Bonds1

About 1,2-diethynyl-9-phenyl-9H-fluorene

1,2-diethynyl-9-phenyl-9H-fluorene (PubChem CID 22600887) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1,2-diethynyl-9-phenyl-9H-fluorene.

Molecular Properties

Compound Name1,2-diethynyl-9-phenyl-9H-fluorene
PubChem CID22600887
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Name1,2-diethynyl-9-phenyl-9H-fluorene
SMILESC#Cc1ccc2c(c1C#C)C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C23H14/c1-3-16-14-15-21-19-12-8-9-13-20(19)22(23(21)18(16)4-2)17-10-6-5-7-11-17/h1-2,5-15,22H
InChIKeyXMZSVVHYNWLTMV-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethynyl-9-phenyl-9H-fluorene?
The IUPAC name of 1,2-diethynyl-9-phenyl-9H-fluorene (CID 22600887) is 1,2-diethynyl-9-phenyl-9H-fluorene.
What is the SMILES notation for 1,2-diethynyl-9-phenyl-9H-fluorene?
The canonical SMILES for 1,2-diethynyl-9-phenyl-9H-fluorene is C#Cc1ccc2c(c1C#C)C(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 1,2-diethynyl-9-phenyl-9H-fluorene?
The InChIKey is XMZSVVHYNWLTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-3-16-14-15-21-19-12-8-9-13-20(19)22(23(21)18(16)4-2)17-10-6-5-7-11-17/h1-2,5-15,22H.
What are the key properties of 1,2-diethynyl-9-phenyl-9H-fluorene?
1,2-diethynyl-9-phenyl-9H-fluorene has a molecular weight of 290.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynyl-9-phenyl-9H-fluorene is sourced from PubChem (CID 22600887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).