9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

C14H12Se2 — CID 10947725

IUPAC9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESc1ccc2c(c1)C[Se][Se]Cc1ccccc1-2
InChIInChI=1S/C14H12Se2/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKeyMHNLVOABRNYQNW-UHFFFAOYSA-N
MW338.17 g/mol
LogP2.69
Rot. Bonds

About 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (PubChem CID 10947725) has the molecular formula C14H12Se2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.

Molecular Properties

Compound Name9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
PubChem CID10947725
Molecular FormulaC14H12Se2
Molecular Weight338.17 g/mol
Exact Mass339.93
IUPAC Name9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESc1ccc2c(c1)C[Se][Se]Cc1ccccc1-2
InChIInChI=1S/C14H12Se2/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKeyMHNLVOABRNYQNW-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene 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

9,10-dihydrophenanthrene;methane
CID 174728506
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
9,10-dihydrophenanthrene;ethane
CID 143759681
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249

Frequently Asked Questions

What is the IUPAC name of 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The IUPAC name of 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (CID 10947725) is 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.
What is the SMILES notation for 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The canonical SMILES for 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is c1ccc2c(c1)C[Se][Se]Cc1ccccc1-2.
What is the InChIKey of 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The InChIKey is MHNLVOABRNYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Se2/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2.
What are the key properties of 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene has a molecular weight of 338.17 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diselenatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is sourced from PubChem (CID 10947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).