tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

C18H12 — CID 13347915

IUPACtetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc2cc3c4cccc4cccc3c2cc1
InChIInChI=1S/C18H12/c1-2-6-14-12-18-15-10-4-7-13(15)8-5-11-17(18)16(14)9-3-1/h1-12H
InChIKeyPSFBIRPHGDQMPH-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.15
Rot. Bonds

About tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 13347915) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Nametetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
PubChem CID13347915
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Nametetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc2cc3c4cccc4cccc3c2cc1
InChIInChI=1S/C18H12/c1-2-6-14-12-18-15-10-4-7-13(15)8-5-11-17(18)16(14)9-3-1/h1-12H
InChIKeyPSFBIRPHGDQMPH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azulene(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (CID 13347915) is tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is c1ccc2cc3c4cccc4cccc3c2cc1.
What is the InChIKey of tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is PSFBIRPHGDQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-2-6-14-12-18-15-10-4-7-13(15)8-5-11-17(18)16(14)9-3-1/h1-12H.
What are the key properties of tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 228.29 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 tetracyclo[8.8.0.02,6.011,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 13347915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).