6,14,23,25-tetraza-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

C20H20N6+2 — CID 10993391

IUPAC6,14,23,25-tetraza-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
SMILESc1cc2nc(c1)Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2
InChIInChI=1S/C20H20N6/c1-3-17-11-23-7-9-25(15-23)13-19-5-2-6-20(22-19)14-26-10-8-24(16-26)12-18(4-1)21-17/h1-10,15-16H,11-14H2/q+2
InChIKeySQAACHKGXRVXIN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.16
Rot. Bonds

About 6,14,23,25-tetraza-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

6,14,23,25-tetraza-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 10993391) has the molecular formula C20H20N6+2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6,14,23,25-tetraza-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 Name6,14,23,25-tetraza-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 CID10993391
Molecular FormulaC20H20N6+2
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name6,14,23,25-tetraza-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
SMILESc1cc2nc(c1)Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2
InChIInChI=1S/C20H20N6/c1-3-17-11-23-7-9-25(15-23)13-19-5-2-6-20(22-19)14-26-10-8-24(16-26)12-18(4-1)21-17/h1-10,15-16H,11-14H2/q+2
InChIKeySQAACHKGXRVXIN-UHFFFAOYSA-N
XLogP1.16
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,14,23,25-tetraza-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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Related Compounds

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Imidazo(1,5-a)pyridine
CID 274090
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
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Frequently Asked Questions

What is the IUPAC name of 6,14,23,25-tetraza-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 6,14,23,25-tetraza-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 10993391) is 6,14,23,25-tetraza-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 6,14,23,25-tetraza-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 6,14,23,25-tetraza-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 c1cc2nc(c1)Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2.
What is the InChIKey of 6,14,23,25-tetraza-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 SQAACHKGXRVXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-3-17-11-23-7-9-25(15-23)13-19-5-2-6-20(22-19)14-26-10-8-24(16-26)12-18(4-1)21-17/h1-10,15-16H,11-14H2/q+2.
What are the key properties of 6,14,23,25-tetraza-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?
6,14,23,25-tetraza-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 344.42 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14,23,25-tetraza-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 10993391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).