2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

C19H14 — CID 14815455

IUPAC2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCC(c1ccccc1)=c1c2cccc3cccc1c32
InChIInChI=1S/C19H14/c1-13(14-7-3-2-4-8-14)18-16-11-5-9-15-10-6-12-17(18)19(15)16/h2-12H,1H3
InChIKeyBMLHMHZCEHSPDD-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.37
Rot. Bonds1

About 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (PubChem CID 14815455) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.

Molecular Properties

Compound Name2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
PubChem CID14815455
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCC(c1ccccc1)=c1c2cccc3cccc1c32
InChIInChI=1S/C19H14/c1-13(14-7-3-2-4-8-14)18-16-11-5-9-15-10-6-12-17(18)19(15)16/h2-12H,1H3
InChIKeyBMLHMHZCEHSPDD-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The IUPAC name of 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (CID 14815455) is 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
What is the SMILES notation for 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The canonical SMILES for 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is CC(c1ccccc1)=c1c2cccc3cccc1c32.
What is the InChIKey of 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The InChIKey is BMLHMHZCEHSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-13(14-7-3-2-4-8-14)18-16-11-5-9-15-10-6-12-17(18)19(15)16/h2-12H,1H3.
What are the key properties of 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene has a molecular weight of 242.32 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylidene)tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is sourced from PubChem (CID 14815455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).