6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene

C22H22N4+2 — CID 15194038

IUPAC6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
SMILESc1cc2cc(c1)Cn1cc[n+](c1)Cc1cccc(c1)C[n+]1ccn(c1)C2
InChIInChI=1S/C22H22N4/c1-3-19-11-20(4-1)14-24-8-10-26(18-24)16-22-6-2-5-21(12-22)15-25-9-7-23(13-19)17-25/h1-12,17-18H,13-16H2/q+2
InChIKeyRQMWLCRTXYLURI-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.37
Rot. Bonds

About 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene

6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene (PubChem CID 15194038) has the molecular formula C22H22N4+2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene.

Molecular Properties

Compound Name6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
PubChem CID15194038
Molecular FormulaC22H22N4+2
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
SMILESc1cc2cc(c1)Cn1cc[n+](c1)Cc1cccc(c1)C[n+]1ccn(c1)C2
InChIInChI=1S/C22H22N4/c1-3-19-11-20(4-1)14-24-8-10-26(18-24)16-22-6-2-5-21(12-22)15-25-9-7-23(13-19)17-25/h1-12,17-18H,13-16H2/q+2
InChIKeyRQMWLCRTXYLURI-UHFFFAOYSA-N
XLogP2.37
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene?
The IUPAC name of 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene (CID 15194038) is 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene.
What is the SMILES notation for 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene?
The canonical SMILES for 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene is c1cc2cc(c1)Cn1cc[n+](c1)Cc1cccc(c1)C[n+]1ccn(c1)C2.
What is the InChIKey of 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene?
The InChIKey is RQMWLCRTXYLURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-19-11-20(4-1)14-24-8-10-26(18-24)16-22-6-2-5-21(12-22)15-25-9-7-23(13-19)17-25/h1-12,17-18H,13-16H2/q+2.
What are the key properties of 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene?
6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene has a molecular weight of 342.45 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene is sourced from PubChem (CID 15194038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).