9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene

C22H36N4+4 — CID 23279411

IUPAC9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene
SMILESc1ccc2c(c1)C[NH2+]CCC[NH2+]CC[NH2+]CCC[NH2+]Cc1ccccc1-2
InChIInChI=1S/C22H32N4/c1-3-9-21-19(7-1)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)21/h1-4,7-10,23-26H,5-6,11-18H2/p+4
InChIKeyGYCFESJXIINJGD-UHFFFAOYSA-R
MW356.56 g/mol
LogP-1.60
Rot. Bonds

About 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene

9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene (PubChem CID 23279411) has the molecular formula C22H36N4+4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene.

Molecular Properties

Compound Name9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene
PubChem CID23279411
Molecular FormulaC22H36N4+4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene
SMILESc1ccc2c(c1)C[NH2+]CCC[NH2+]CC[NH2+]CCC[NH2+]Cc1ccccc1-2
InChIInChI=1S/C22H32N4/c1-3-9-21-19(7-1)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)21/h1-4,7-10,23-26H,5-6,11-18H2/p+4
InChIKeyGYCFESJXIINJGD-UHFFFAOYSA-R
XLogP-1.60
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene?
The IUPAC name of 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene (CID 23279411) is 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene.
What is the SMILES notation for 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene?
The canonical SMILES for 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene is c1ccc2c(c1)C[NH2+]CCC[NH2+]CC[NH2+]CCC[NH2+]Cc1ccccc1-2.
What is the InChIKey of 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene?
The InChIKey is GYCFESJXIINJGD-UHFFFAOYSA-R. The full InChI is InChI=1S/C22H32N4/c1-3-9-21-19(7-1)17-25-13-5-11-23-15-16-24-12-6-14-26-18-20-8-2-4-10-22(20)21/h1-4,7-10,23-26H,5-6,11-18H2/p+4.
What are the key properties of 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene?
9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene has a molecular weight of 356.56 g/mol, XLogP of -1.60, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13,16,20-tetrazoniatricyclo[20.4.0.02,7]hexacosa-1(26),2,4,6,22,24-hexaene is sourced from PubChem (CID 23279411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).