9-(3-phenylprop-2-ynylidene)fluorene

C22H14 — CID 15317729

IUPAC9-(3-phenylprop-2-ynylidene)fluorene
SMILESC(#Cc1ccccc1)C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H14/c1-2-9-17(10-3-1)11-8-16-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-16H
InChIKeyUKVZHDMPFZIQSG-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.15
Rot. Bonds

About 9-(3-phenylprop-2-ynylidene)fluorene

9-(3-phenylprop-2-ynylidene)fluorene (PubChem CID 15317729) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-(3-phenylprop-2-ynylidene)fluorene.

Molecular Properties

Compound Name9-(3-phenylprop-2-ynylidene)fluorene
PubChem CID15317729
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name9-(3-phenylprop-2-ynylidene)fluorene
SMILESC(#Cc1ccccc1)C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H14/c1-2-9-17(10-3-1)11-8-16-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-16H
InChIKeyUKVZHDMPFZIQSG-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.15
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 9-(3-phenylprop-2-ynylidene)fluorene?
The IUPAC name of 9-(3-phenylprop-2-ynylidene)fluorene (CID 15317729) is 9-(3-phenylprop-2-ynylidene)fluorene.
What is the SMILES notation for 9-(3-phenylprop-2-ynylidene)fluorene?
The canonical SMILES for 9-(3-phenylprop-2-ynylidene)fluorene is C(#Cc1ccccc1)C=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-phenylprop-2-ynylidene)fluorene?
The InChIKey is UKVZHDMPFZIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-2-9-17(10-3-1)11-8-16-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-7,9-10,12-16H.
What are the key properties of 9-(3-phenylprop-2-ynylidene)fluorene?
9-(3-phenylprop-2-ynylidene)fluorene has a molecular weight of 278.35 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylprop-2-ynylidene)fluorene is sourced from PubChem (CID 15317729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).