tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione

C18H10O2 — CID 71438939

IUPACtetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
SMILESO=c1c2c(c1=O)-c1ccccc1C=Cc1ccccc1-2
InChIInChI=1S/C18H10O2/c19-17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18(17)20/h1-10H/b10-9?,11-9?,12-10?,15-13+,16-14+
InChIKeyNAHZPGGMQSOQAJ-DVYCXHTPSA-N
MW258.28 g/mol
LogP3.10
Rot. Bonds

About tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione

tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione (PubChem CID 71438939) has the molecular formula C18H10O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione.

Molecular Properties

Compound Nametetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
PubChem CID71438939
Molecular FormulaC18H10O2
Molecular Weight258.28 g/mol
Exact Mass258.07
IUPAC Nametetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
SMILESO=c1c2c(c1=O)-c1ccccc1C=Cc1ccccc1-2
InChIInChI=1S/C18H10O2/c19-17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18(17)20/h1-10H/b10-9?,11-9?,12-10?,15-13+,16-14+
InChIKeyNAHZPGGMQSOQAJ-DVYCXHTPSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione?
The IUPAC name of tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione (CID 71438939) is tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione.
What is the SMILES notation for tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione?
The canonical SMILES for tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione is O=c1c2c(c1=O)-c1ccccc1C=Cc1ccccc1-2.
What is the InChIKey of tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione?
The InChIKey is NAHZPGGMQSOQAJ-DVYCXHTPSA-N. The full InChI is InChI=1S/C18H10O2/c19-17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(15)18(17)20/h1-10H/b10-9?,11-9?,12-10?,15-13+,16-14+.
What are the key properties of tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione?
tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione has a molecular weight of 258.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione is sourced from PubChem (CID 71438939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).