tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene

C15H14 — CID 154311656

IUPACtricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene
SMILESC1=CCC2=CC=CCC23C=CC=CC3=C1
InChIInChI=1S/C15H14/c1-2-8-14-10-4-6-12-15(14)11-5-3-9-13(15)7-1/h1-7,9-11H,8,12H2
InChIKeyBBTGWJWEBLBVAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.87
Rot. Bonds

About tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene

tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene (PubChem CID 154311656) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene.

Molecular Properties

Compound Nametricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene
PubChem CID154311656
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Nametricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene
SMILESC1=CCC2=CC=CCC23C=CC=CC3=C1
InChIInChI=1S/C15H14/c1-2-8-14-10-4-6-12-15(14)11-5-3-9-13(15)7-1/h1-7,9-11H,8,12H2
InChIKeyBBTGWJWEBLBVAQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene?
The IUPAC name of tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene (CID 154311656) is tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene.
What is the SMILES notation for tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene?
The canonical SMILES for tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene is C1=CCC2=CC=CCC23C=CC=CC3=C1.
What is the InChIKey of tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene?
The InChIKey is BBTGWJWEBLBVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-2-8-14-10-4-6-12-15(14)11-5-3-9-13(15)7-1/h1-7,9-11H,8,12H2.
What are the key properties of tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene?
tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene has a molecular weight of 194.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.01,6]pentadeca-2,4,6,8,11,13-hexaene is sourced from PubChem (CID 154311656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).