2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

C16H18N2+2 — CID 10526717

IUPAC2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESC[N+]1=CC2=CC=CC3C2C2C1=CC=CC2C=[N+]3C
InChIInChI=1S/C16H18N2/c1-17-9-11-5-4-8-14-16(11)15-12(10-18(14)2)6-3-7-13(15)17/h3-11,13,15-16H,1-2H3/q+2
InChIKeyAKMUBQNDVVCKRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds

About 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (PubChem CID 10526717) has the molecular formula C16H18N2+2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
PubChem CID10526717
Molecular FormulaC16H18N2+2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESC[N+]1=CC2=CC=CC3C2C2C1=CC=CC2C=[N+]3C
InChIInChI=1S/C16H18N2/c1-17-9-11-5-4-8-14-16(11)15-12(10-18(14)2)6-3-7-13(15)17/h3-11,13,15-16H,1-2H3/q+2
InChIKeyAKMUBQNDVVCKRG-UHFFFAOYSA-N
XLogP1.61
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
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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2,9-Dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene;hydrogen sulfate
CID 10526716

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The IUPAC name of 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (CID 10526717) is 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.
What is the SMILES notation for 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The canonical SMILES for 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is C[N+]1=CC2=CC=CC3C2C2C1=CC=CC2C=[N+]3C.
What is the InChIKey of 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The InChIKey is AKMUBQNDVVCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-17-9-11-5-4-8-14-16(11)15-12(10-18(14)2)6-3-7-13(15)17/h3-11,13,15-16H,1-2H3/q+2.
What are the key properties of 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene has a molecular weight of 238.33 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is sourced from PubChem (CID 10526717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).