2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene

C20H16N+ — CID 160634648

IUPAC2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene
SMILESc1ccc2c(c1)-c1cccc3c1CCC2[n+]1ccccc1-3
InChIInChI=1S/C20H16N/c1-2-7-17-15(6-1)14-8-5-9-18-16(14)11-12-20(17)21-13-4-3-10-19(18)21/h1-10,13,20H,11-12H2/q+1
InChIKeyADRJERAIROQZBI-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.16
Rot. Bonds

About 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene

2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene (PubChem CID 160634648) has the molecular formula C20H16N+ and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene.

Molecular Properties

Compound Name2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene
PubChem CID160634648
Molecular FormulaC20H16N+
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene
SMILESc1ccc2c(c1)-c1cccc3c1CCC2[n+]1ccccc1-3
InChIInChI=1S/C20H16N/c1-2-7-17-15(6-1)14-8-5-9-18-16(14)11-12-20(17)21-13-4-3-10-19(18)21/h1-10,13,20H,11-12H2/q+1
InChIKeyADRJERAIROQZBI-UHFFFAOYSA-N
XLogP4.16
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2,19-diazoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 58321386
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 140933699
13-oxa-2-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 161352540
6-[2-[1-(6,7-dihydrobenzo[a]quinolizin-5-ium-6-yl)pyridin-1-ium-2-yl]phenyl]-2-methyl-3-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 174333547
9-fluoro-9H-fluorene
CID 12685099
4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 91801370
4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 143953901
6-methyl-9-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 58435194
6-[1-[2-(2-methylphenyl)pyridin-1-ium-1-yl]ethyl]-6H-pyrido[2,1-a]isoindol-5-ium
CID 91805887
1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
CID 59904303
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroquinoline
CID 114606069

Frequently Asked Questions

What is the IUPAC name of 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene?
The IUPAC name of 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene (CID 160634648) is 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene.
What is the SMILES notation for 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene?
The canonical SMILES for 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene is c1ccc2c(c1)-c1cccc3c1CCC2[n+]1ccccc1-3.
What is the InChIKey of 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene?
The InChIKey is ADRJERAIROQZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N/c1-2-7-17-15(6-1)14-8-5-9-18-16(14)11-12-20(17)21-13-4-3-10-19(18)21/h1-10,13,20H,11-12H2/q+1.
What are the key properties of 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene?
2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene has a molecular weight of 270.36 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azoniapentacyclo[10.6.3.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaene is sourced from PubChem (CID 160634648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).