6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene

C18H22N4+2 — CID 15195906

IUPAC6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene
SMILESc1cc2ccc1C[n+]1ccn(c1)CCCCn1cc[n+](c1)C2
InChIInChI=1S/C18H22N4/c1-2-8-20-10-12-22(16-20)14-18-5-3-17(4-6-18)13-21-11-9-19(7-1)15-21/h3-6,9-12,15-16H,1-2,7-8,13-14H2/q+2
InChIKeyDFOORHMQSJULKF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.75
Rot. Bonds

About 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene

6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene (PubChem CID 15195906) has the molecular formula C18H22N4+2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene.

Molecular Properties

Compound Name6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene
PubChem CID15195906
Molecular FormulaC18H22N4+2
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene
SMILESc1cc2ccc1C[n+]1ccn(c1)CCCCn1cc[n+](c1)C2
InChIInChI=1S/C18H22N4/c1-2-8-20-10-12-22(16-20)14-18-5-3-17(4-6-18)13-21-11-9-19(7-1)15-21/h3-6,9-12,15-16H,1-2,7-8,13-14H2/q+2
InChIKeyDFOORHMQSJULKF-UHFFFAOYSA-N
XLogP1.75
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene?
The IUPAC name of 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene (CID 15195906) is 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene.
What is the SMILES notation for 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene?
The canonical SMILES for 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene is c1cc2ccc1C[n+]1ccn(c1)CCCCn1cc[n+](c1)C2.
What is the InChIKey of 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene?
The InChIKey is DFOORHMQSJULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-8-20-10-12-22(16-20)14-18-5-3-17(4-6-18)13-21-11-9-19(7-1)15-21/h3-6,9-12,15-16H,1-2,7-8,13-14H2/q+2.
What are the key properties of 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene?
6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene has a molecular weight of 294.40 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene is sourced from PubChem (CID 15195906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).