5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene

C14H16N2+2 — CID 101215330

IUPAC5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene
SMILESc1c[n+]2ccc1-c1cc[n+](cc1)CCCC2
InChIInChI=1S/C14H16N2/c1-2-8-16-11-5-14(6-12-16)13-3-9-15(7-1)10-4-13/h3-6,9-12H,1-2,7-8H2/q+2
InChIKeyJJCXXFKOCOXHMD-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.72
Rot. Bonds

About 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene

5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene (PubChem CID 101215330) has the molecular formula C14H16N2+2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene.

Molecular Properties

Compound Name5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene
PubChem CID101215330
Molecular FormulaC14H16N2+2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene
SMILESc1c[n+]2ccc1-c1cc[n+](cc1)CCCC2
InChIInChI=1S/C14H16N2/c1-2-8-16-11-5-14(6-12-16)13-3-9-15(7-1)10-4-13/h3-6,9-12H,1-2,7-8H2/q+2
InChIKeyJJCXXFKOCOXHMD-UHFFFAOYSA-N
XLogP1.72
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.72
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

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5,14,21,25-tetrazoniahexacyclo[23.2.2.22,5.214,17.218,21.07,12]pentatriaconta-1(28),2(35),3,5(34),7,9,11,14,16,18(31),19,21(30),25(29),26,32-pentadecaene tetrabromide
CID 10652817
(15Z)-13,18-bis(methylsulfanyl)-11,14,17,20,31,32-hexathia-5,26-diazoniapentacyclo[24.2.2.22,5.112,15.116,19]tetratriaconta-1(29),2(34),3,5(33),12,15,18,26(30),27-nonaene diiodide
CID 24939372
5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene tetrahexafluorophosphate
CID 11040455
3,32-dioxa-7,14,21,28-tetrazoniaundecacyclo[32.15.7.27,10.211,14.216,19.221,24.225,28.140,44.151,55.02,46.033,38]octahexaconta-1(49),2(46),7,9,11,13,16,18,21(62),22,24(61),25(60),26,28(59),33(38),34,36,40,42,44(58),47,51(57),52,54,63,65,67-heptacosaene-57,58-diol
CID 11981680
8,13,26,37-tetraoxa-5,16,23,40-tetrazoniaoctacyclo[38.2.2.22,5.29,12.216,19.220,23.027,32.031,36]dopentaconta-1(43),2(52),3,5(51),9,11,16,18,20(46),21,23(45),27,29,31,33,35,40(44),41,47,49-icosaene tetrahexafluorophosphate
CID 10582242
1,18-diazoniatricyclo[29.3.1.114,18]hexatriaconta-1(34),14(36),15,17,31(35),32-hexaene
CID 3012472
1,20-diazoniatricyclo[33.3.1.116,20]tetraconta-1(38),16(40),17,19,35(39),36-hexaene
CID 3012477
3,10,17,24-tetrazonianonacyclo[24.6.6.23,6.27,10.212,15.217,20.221,24.027,32.033,38]octatetraconta-1(33),3(48),4,6(47),7(46),8,10(45),12(44),13,15(43),17,19,21,23,26(38),27,29,31,34,36,39,41-docosaene tetrabromide
CID 53309854
(15Z)-13,18-bis(methylsulfanyl)-8,23-dioxa-11,14,17,20,31,32-hexathia-5,26-diazoniapentacyclo[24.2.2.22,5.112,15.116,19]tetratriaconta-1(29),2(34),3,5(33),12,15,18,26(30),27-nonaene
CID 42615215
CID 140820000
CID 140820000

Frequently Asked Questions

What is the IUPAC name of 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene?
The IUPAC name of 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene (CID 101215330) is 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene.
What is the SMILES notation for 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene?
The canonical SMILES for 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene is c1c[n+]2ccc1-c1cc[n+](cc1)CCCC2.
What is the InChIKey of 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene?
The InChIKey is JJCXXFKOCOXHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-8-16-11-5-14(6-12-16)13-3-9-15(7-1)10-4-13/h3-6,9-12H,1-2,7-8H2/q+2.
What are the key properties of 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene?
5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene has a molecular weight of 212.30 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diazoniatricyclo[8.2.2.22,5]hexadeca-1(13),2(16),3,5(15),10(14),11-hexaene is sourced from PubChem (CID 101215330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).