5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene

C22H32N2+2 — CID 66799483

IUPAC5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene
SMILESc1c[n+]2ccc1-c1cc[n+](cc1)CCCCCCCCCCCC2
InChIInChI=1S/C22H32N2/c1-2-4-6-8-10-16-24-19-13-22(14-20-24)21-11-17-23(18-12-21)15-9-7-5-3-1/h11-14,17-20H,1-10,15-16H2/q+2
InChIKeySGUSVOAHQIIMAG-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.84
Rot. Bonds

About 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene

5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene (PubChem CID 66799483) has the molecular formula C22H32N2+2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene.

Molecular Properties

Compound Name5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene
PubChem CID66799483
Molecular FormulaC22H32N2+2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene
SMILESc1c[n+]2ccc1-c1cc[n+](cc1)CCCCCCCCCCCC2
InChIInChI=1S/C22H32N2/c1-2-4-6-8-10-16-24-19-13-22(14-20-24)21-11-17-23(18-12-21)15-9-7-5-3-1/h11-14,17-20H,1-10,15-16H2/q+2
InChIKeySGUSVOAHQIIMAG-UHFFFAOYSA-N
XLogP4.84
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene 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 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene?
The IUPAC name of 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene (CID 66799483) is 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene.
What is the SMILES notation for 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene?
The canonical SMILES for 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene is c1c[n+]2ccc1-c1cc[n+](cc1)CCCCCCCCCCCC2.
What is the InChIKey of 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene?
The InChIKey is SGUSVOAHQIIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-4-6-8-10-16-24-19-13-22(14-20-24)21-11-17-23(18-12-21)15-9-7-5-3-1/h11-14,17-20H,1-10,15-16H2/q+2.
What are the key properties of 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene?
5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene has a molecular weight of 324.51 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene is sourced from PubChem (CID 66799483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).