8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene

C15H10N3+ — CID 53356369

IUPAC8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
SMILESc1ccc2c(c1)ccc1c2nnc2cccc[n+]21
InChIInChI=1S/C15H10N3/c1-2-6-12-11(5-1)8-9-13-15(12)17-16-14-7-3-4-10-18(13)14/h1-10H/q+1
InChIKeyDOMUYZALGRDQDB-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.52
Rot. Bonds

About 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene

8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene (PubChem CID 53356369) has the molecular formula C15H10N3+ and a molecular weight of 232.27 g/mol. Its IUPAC name is 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene.

Molecular Properties

Compound Name8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
PubChem CID53356369
Molecular FormulaC15H10N3+
Molecular Weight232.27 g/mol
Exact Mass232.09
IUPAC Name8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
SMILESc1ccc2c(c1)ccc1c2nnc2cccc[n+]21
InChIInChI=1S/C15H10N3/c1-2-6-12-11(5-1)8-9-13-15(12)17-16-14-7-3-4-10-18(13)14/h1-10H/q+1
InChIKeyDOMUYZALGRDQDB-UHFFFAOYSA-N
XLogP2.52
TPSA29.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?
The IUPAC name of 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene (CID 53356369) is 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene.
What is the SMILES notation for 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?
The canonical SMILES for 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene is c1ccc2c(c1)ccc1c2nnc2cccc[n+]21.
What is the InChIKey of 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?
The InChIKey is DOMUYZALGRDQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N3/c1-2-6-12-11(5-1)8-9-13-15(12)17-16-14-7-3-4-10-18(13)14/h1-10H/q+1.
What are the key properties of 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?
8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene has a molecular weight of 232.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diaza-2-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene is sourced from PubChem (CID 53356369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).