tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene

C15H12 — CID 173020438

IUPACtricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene
SMILESC1=CC=Cc2c(ccc3c2C=CC3)C=C1
InChIInChI=1S/C15H12/c1-2-4-8-14-12(6-3-1)10-11-13-7-5-9-15(13)14/h1-6,8-11H,7H2
InChIKeyLGRHUFPWJWIPFB-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.85
Rot. Bonds

About tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene

tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene (PubChem CID 173020438) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene.

Molecular Properties

Compound Nametricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene
PubChem CID173020438
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Nametricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene
SMILESC1=CC=Cc2c(ccc3c2C=CC3)C=C1
InChIInChI=1S/C15H12/c1-2-4-8-14-12(6-3-1)10-11-13-7-5-9-15(13)14/h1-6,8-11H,7H2
InChIKeyLGRHUFPWJWIPFB-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene?
The IUPAC name of tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene (CID 173020438) is tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene.
What is the SMILES notation for tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene?
The canonical SMILES for tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene is C1=CC=Cc2c(ccc3c2C=CC3)C=C1.
What is the InChIKey of tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene?
The InChIKey is LGRHUFPWJWIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-2-4-8-14-12(6-3-1)10-11-13-7-5-9-15(13)14/h1-6,8-11H,7H2.
What are the key properties of tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene?
tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene has a molecular weight of 192.26 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene is sourced from PubChem (CID 173020438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).