2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene

C22H22N+ — CID 145473347

IUPAC2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESCc1cc(C)c2c(c1)-c1ccc3ccccc3[n+]1C1(C)CC21C
InChIInChI=1S/C22H22N/c1-14-11-15(2)20-17(12-14)19-10-9-16-7-5-6-8-18(16)23(19)22(4)13-21(20,22)3/h5-12H,13H2,1-4H3/q+1
InChIKeyBWQWYGZKFVRWDO-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.80
Rot. Bonds

About 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene

2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene (PubChem CID 145473347) has the molecular formula C22H22N+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
PubChem CID145473347
Molecular FormulaC22H22N+
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESCc1cc(C)c2c(c1)-c1ccc3ccccc3[n+]1C1(C)CC21C
InChIInChI=1S/C22H22N/c1-14-11-15(2)20-17(12-14)19-10-9-16-7-5-6-8-18(16)23(19)22(4)13-21(20,22)3/h5-12H,13H2,1-4H3/q+1
InChIKeyBWQWYGZKFVRWDO-UHFFFAOYSA-N
XLogP4.80
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The IUPAC name of 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene (CID 145473347) is 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene.
What is the SMILES notation for 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The canonical SMILES for 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene is Cc1cc(C)c2c(c1)-c1ccc3ccccc3[n+]1C1(C)CC21C.
What is the InChIKey of 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The InChIKey is BWQWYGZKFVRWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N/c1-14-11-15(2)20-17(12-14)19-10-9-16-7-5-6-8-18(16)23(19)22(4)13-21(20,22)3/h5-12H,13H2,1-4H3/q+1.
What are the key properties of 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene has a molecular weight of 300.43 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene is sourced from PubChem (CID 145473347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).