7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene

C12H12N2+2 — CID 6795

IUPAC7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
SMILESc1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
InChIKeySYJFEGQWDCRVNX-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.94
Rot. Bonds

About 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene (PubChem CID 6795) has the molecular formula C12H12N2+2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
PubChem CID6795
Molecular FormulaC12H12N2+2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
SMILESc1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2
InChIKeySYJFEGQWDCRVNX-UHFFFAOYSA-N
XLogP0.94
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Bipyridine
CID 1474
Diquat Dibromide
CID 6794
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Quinoxaline
CID 7045
2-Propylpyridine
CID 69320
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2-Pentylpyridine
CID 16800
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2-Butylpyridine
CID 78750
2,3'-Bipyridine
CID 11389
2,2':6',2''-Terpyridine
CID 70848
Bis(2-pyridylmethyl)amine
CID 73759

Frequently Asked Questions

What is the IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene (CID 6795) is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene.
What is the SMILES notation for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The canonical SMILES for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene is c1cc[n+]2c(c1)-c1cccc[n+]1CC2.
What is the InChIKey of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
The InChIKey is SYJFEGQWDCRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2.
What are the key properties of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene?
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene has a molecular weight of 184.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene is sourced from PubChem (CID 6795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).