12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

C22H12Se2 — CID 102402238

IUPAC12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)[se]c1c2cc4ccccc4cc2[se]c31
InChIInChI=1S/C22H12Se2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H
InChIKeyOYIJWRJXHFNKJT-UHFFFAOYSA-N
MW434.26 g/mol
LogP5.57
Rot. Bonds

About 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene

12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (PubChem CID 102402238) has the molecular formula C22H12Se2 and a molecular weight of 434.26 g/mol. Its IUPAC name is 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
PubChem CID102402238
Molecular FormulaC22H12Se2
Molecular Weight434.26 g/mol
Exact Mass435.93
IUPAC Name12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
SMILESc1ccc2cc3c(cc2c1)[se]c1c2cc4ccccc4cc2[se]c31
InChIInChI=1S/C22H12Se2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H
InChIKeyOYIJWRJXHFNKJT-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.26
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene with MolForge

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Related Compounds

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CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
2-benzylbenzo[f][1,2]benzoselenazol-3-one
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CID 123724624
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CID 581122
1,4-dichloroanthracene
CID 3497125

Frequently Asked Questions

What is the IUPAC name of 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The IUPAC name of 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene (CID 102402238) is 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene.
What is the SMILES notation for 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The canonical SMILES for 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is c1ccc2cc3c(cc2c1)[se]c1c2cc4ccccc4cc2[se]c31.
What is the InChIKey of 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
The InChIKey is OYIJWRJXHFNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Se2/c1-3-7-15-11-19-17(9-13(15)5-1)21-22(23-19)18-10-14-6-2-4-8-16(14)12-20(18)24-21/h1-12H.
What are the key properties of 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene?
12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene has a molecular weight of 434.26 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene is sourced from PubChem (CID 102402238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).