7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene

C18H12N5+ — CID 20816074

IUPAC7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene
SMILESC1=C/C2=C/[n+]3ccn(c3)/C=C3/C=CC(=N3)C3=N/C(=C\C1=N2)C=C3
InChIInChI=1S/C18H12N5/c1-2-15-10-22-7-8-23(12-22)11-16-4-6-18(21-16)17-5-3-14(20-17)9-13(1)19-15/h1-12H/q+1/b14-9-,15-10-,16-11-
InChIKeyFSHRSJAEJHZXIZ-FTMPCSESSA-N
MW298.33 g/mol
LogP2.30
Rot. Bonds

About 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene

7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene (PubChem CID 20816074) has the molecular formula C18H12N5+ and a molecular weight of 298.33 g/mol. Its IUPAC name is 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene.

Molecular Properties

Compound Name7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene
PubChem CID20816074
Molecular FormulaC18H12N5+
Molecular Weight298.33 g/mol
Exact Mass298.11
IUPAC Name7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene
SMILESC1=C/C2=C/[n+]3ccn(c3)/C=C3/C=CC(=N3)C3=N/C(=C\C1=N2)C=C3
InChIInChI=1S/C18H12N5/c1-2-15-10-22-7-8-23(12-22)11-16-4-6-18(21-16)17-5-3-14(20-17)9-13(1)19-15/h1-12H/q+1/b14-9-,15-10-,16-11-
InChIKeyFSHRSJAEJHZXIZ-FTMPCSESSA-N
XLogP2.30
TPSA45.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene?
The IUPAC name of 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene (CID 20816074) is 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene.
What is the SMILES notation for 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene?
The canonical SMILES for 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene is C1=C/C2=C/[n+]3ccn(c3)/C=C3/C=CC(=N3)C3=N/C(=C\C1=N2)C=C3.
What is the InChIKey of 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene?
The InChIKey is FSHRSJAEJHZXIZ-FTMPCSESSA-N. The full InChI is InChI=1S/C18H12N5/c1-2-15-10-22-7-8-23(12-22)11-16-4-6-18(21-16)17-5-3-14(20-17)9-13(1)19-15/h1-12H/q+1/b14-9-,15-10-,16-11-.
What are the key properties of 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene?
7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene has a molecular weight of 298.33 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,20,21,23-tetraza-10-azoniapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,10(22),11,13,15(21),16,18-undecaene is sourced from PubChem (CID 20816074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).