7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide

C12H16N2O2 — CID 139594461

IUPAC7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide
SMILESC1=CC2=C3C=CC=C[NH+]3CC[NH+]2C=C1.[OH-].[OH-]
InChIInChI=1S/C12H12N2.2H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H2
InChIKeyBYWHRDKVNBXYBG-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.21
Rot. Bonds

About 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide (PubChem CID 139594461) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide.

Molecular Properties

Compound Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide
PubChem CID139594461
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide
SMILESC1=CC2=C3C=CC=C[NH+]3CC[NH+]2C=C1.[OH-].[OH-]
InChIInChI=1S/C12H12N2.2H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H2
InChIKeyBYWHRDKVNBXYBG-UHFFFAOYSA-N
XLogP-1.21
TPSA68.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,10-Diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
CID 16760137
1-[1-(1,2-dihydropyridin-6-yl)ethenyl]-2H-pyridine
CID 19417919
2,6-dihydro-1H-pyrido[1,2-a]pyrazine
CID 19778079
4H-quinolizin-3-amine
CID 57421862
1-N,1-N,8-N-trimethyl-6H-quinolizine-1,8-diamine
CID 87504345
1-N,1-N,8-N-trimethyl-4H-quinolizine-1,8-diamine
CID 87504346
N'-(4H-quinolizin-2-yl)ethane-1,2-diamine
CID 88496278
4,5-Dihydroquinolizin-5-ium hydroxide
CID 140376447
3,4-dihydro-2H-pyrido[1,2-a]pyrazine
CID 141392089
N'-(4H-quinolizin-2-yl)ethane-1,2-diamine;trihydrochloride
CID 173367624
6-(1,2-dihydropyridin-6-yl)-1,1-dimethyl-2H-pyridin-1-ium;ethane
CID 176556891
7,10-Diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,12-tetraene
CID 163142299

Frequently Asked Questions

What is the IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide?
The IUPAC name of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide (CID 139594461) is 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide.
What is the SMILES notation for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide?
The canonical SMILES for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide is C1=CC2=C3C=CC=C[NH+]3CC[NH+]2C=C1.[OH-].[OH-].
What is the InChIKey of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide?
The InChIKey is BYWHRDKVNBXYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H2.
What are the key properties of 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide?
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide has a molecular weight of 220.27 g/mol, XLogP of -1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene dihydroxide is sourced from PubChem (CID 139594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).