2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

C18H22N2+2 — CID 10647654

IUPAC2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESCC1=CC2C=[N+](C)C3C=C(C)C=C4C=[N+](C)C(=C1)C2C43
InChIInChI=1S/C18H22N2/c1-11-5-13-9-20(4)16-8-12(2)6-14-10-19(3)15(7-11)17(13)18(14)16/h5-10,13,16-18H,1-4H3/q+2
InChIKeyPRDQQFLOVAZSLG-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.39
Rot. Bonds

About 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (PubChem CID 10647654) has the molecular formula C18H22N2+2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
PubChem CID10647654
Molecular FormulaC18H22N2+2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESCC1=CC2C=[N+](C)C3C=C(C)C=C4C=[N+](C)C(=C1)C2C43
InChIInChI=1S/C18H22N2/c1-11-5-13-9-20(4)16-8-12(2)6-14-10-19(3)15(7-11)17(13)18(14)16/h5-10,13,16-18H,1-4H3/q+2
InChIKeyPRDQQFLOVAZSLG-UHFFFAOYSA-N
XLogP2.39
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.39
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
2,9-Dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10526717
6,13-Dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10609862
Hydrogen sulfate;2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10647653

Frequently Asked Questions

What is the IUPAC name of 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The IUPAC name of 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (CID 10647654) is 2,6,9,13-tetramethyl-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 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The canonical SMILES for 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is CC1=CC2C=[N+](C)C3C=C(C)C=C4C=[N+](C)C(=C1)C2C43.
What is the InChIKey of 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The InChIKey is PRDQQFLOVAZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-11-5-13-9-20(4)16-8-12(2)6-14-10-19(3)15(7-11)17(13)18(14)16/h5-10,13,16-18H,1-4H3/q+2.
What are the key properties of 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene has a molecular weight of 266.39 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,13-tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is sourced from PubChem (CID 10647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).