1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one

C34H18O2Se — CID 154105159

IUPAC1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c([Se]c3ccc4cccc5c4c3-c3ccccc3C5=O)ccc3cccc1c23
InChIInChI=1S/C34H18O2Se/c35-33-23-11-3-1-9-21(23)31-27(17-15-19-7-5-13-25(33)29(19)31)37-28-18-16-20-8-6-14-26-30(20)32(28)22-10-2-4-12-24(22)34(26)36/h1-18H
InChIKeyGOOARPNWGLZKIN-UHFFFAOYSA-N
MW537.48 g/mol
LogP6.07
Rot. Bonds2

About 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one

1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one (PubChem CID 154105159) has the molecular formula C34H18O2Se and a molecular weight of 537.48 g/mol. Its IUPAC name is 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one.

Molecular Properties

Compound Name1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
PubChem CID154105159
Molecular FormulaC34H18O2Se
Molecular Weight537.48 g/mol
Exact Mass538.05
IUPAC Name1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c([Se]c3ccc4cccc5c4c3-c3ccccc3C5=O)ccc3cccc1c23
InChIInChI=1S/C34H18O2Se/c35-33-23-11-3-1-9-21(23)31-27(17-15-19-7-5-13-25(33)29(19)31)37-28-18-16-20-8-6-14-26-30(20)32(28)22-10-2-4-12-24(22)34(26)36/h1-18H
InChIKeyGOOARPNWGLZKIN-UHFFFAOYSA-N
XLogP6.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one with MolForge

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

Launch Full Analysis

Related Compounds

1-phenylbenzo[b]phenalen-7-one
CID 12547034
1-aminooxybenzo[b]phenalen-7-one
CID 163979497
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
1-phenoxybenzo[b]phenalen-7-one
CID 154332188
benzo[a]phenalen-7-one;ethane
CID 90765972
1,2-dichlorobenzo[b]phenalen-7-one
CID 20841807
2-amino-1-(7-oxobenzo[a]phenalen-1-yl)peroxybenzo[b]phenalen-7-one
CID 163770722
2-chloro-1-hydroxybenzo[b]phenalen-7-one
CID 139691775
2-bromo-1-(2-bromo-7-oxobenzo[a]phenalen-1-yl)sulfanylbenzo[b]phenalen-7-one
CID 154132506
benzo[c]fluoren-7-one
CID 22413
3-propylsulfanylacenaphthylene-1,2-dione
CID 151685364
2-bromo-7-oxobenzo[a]phenalene-1-carboxylic acid
CID 154092987

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one?
The IUPAC name of 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one (CID 154105159) is 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one.
What is the SMILES notation for 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one?
The canonical SMILES for 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one is O=C1c2ccccc2-c2c([Se]c3ccc4cccc5c4c3-c3ccccc3C5=O)ccc3cccc1c23.
What is the InChIKey of 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one?
The InChIKey is GOOARPNWGLZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18O2Se/c35-33-23-11-3-1-9-21(23)31-27(17-15-19-7-5-13-25(33)29(19)31)37-28-18-16-20-8-6-14-26-30(20)32(28)22-10-2-4-12-24(22)34(26)36/h1-18H.
What are the key properties of 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one?
1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one has a molecular weight of 537.48 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one is sourced from PubChem (CID 154105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).