tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C17H12 — CID 29660

IUPACtetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESC1=Cc2cccc3c2=c2c(cccc2=C1)CC=3
InChIInChI=1S/C17H12/c1-4-12-6-2-8-14-10-11-15-9-3-7-13(5-1)17(15)16(12)14/h1-10H,11H2
InChIKeyMZJKHQKKQFRCFR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds

About tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene

tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 29660) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Nametetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID29660
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Nametetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESC1=Cc2cccc3c2=c2c(cccc2=C1)CC=3
InChIInChI=1S/C17H12/c1-4-12-6-2-8-14-10-11-15-9-3-7-13(5-1)17(15)16(12)14/h1-10H,11H2
InChIKeyMZJKHQKKQFRCFR-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 29660) is tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene is C1=Cc2cccc3c2=c2c(cccc2=C1)CC=3.
What is the InChIKey of tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is MZJKHQKKQFRCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-4-12-6-2-8-14-10-11-15-9-3-7-13(5-1)17(15)16(12)14/h1-10H,11H2.
What are the key properties of tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 216.28 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.6.2.05,17.012,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 29660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).