tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione

C16H12O2 — CID 163817575

IUPACtricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
SMILESO=C1Cc2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C16H12O2/c17-15-9-11-5-1-2-6-12(11)10-16(18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyNSQBEEQBIJATFA-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.85
Rot. Bonds

About tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione

tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione (PubChem CID 163817575) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione.

Molecular Properties

Compound Nametricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
PubChem CID163817575
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Nametricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
SMILESO=C1Cc2ccccc2CC(=O)c2ccccc21
InChIInChI=1S/C16H12O2/c17-15-9-11-5-1-2-6-12(11)10-16(18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKeyNSQBEEQBIJATFA-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
CID 145241657
10H-phenanthren-9-one;phosphoryl trichloride
CID 123741293
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
3-imino-1H-inden-2-one
CID 142098046
9-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbaldehyde
CID 19958800
14-anilinotricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 46888483
3-hydrazinylidene-1H-inden-2-one
CID 131160811
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
9H-fluorene;oxophosphane
CID 174601741

Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione?
The IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione (CID 163817575) is tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione.
What is the SMILES notation for tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione?
The canonical SMILES for tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione is O=C1Cc2ccccc2CC(=O)c2ccccc21.
What is the InChIKey of tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione?
The InChIKey is NSQBEEQBIJATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-15-9-11-5-1-2-6-12(11)10-16(18)14-8-4-3-7-13(14)15/h1-8H,9-10H2.
What are the key properties of tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione?
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione has a molecular weight of 236.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione is sourced from PubChem (CID 163817575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).