12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene

C21H18N+ — CID 132582415

IUPAC12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
SMILESc1ccc2c(c1)CC1c3ccccc3C(C2)c2[nH+]cccc21
InChIInChI=1S/C21H17N/c1-2-7-15-13-20-17-9-4-3-8-16(17)19(12-14(15)6-1)18-10-5-11-22-21(18)20/h1-11,19-20H,12-13H2/p+1
InChIKeyJQFALAWMCAAKOX-UHFFFAOYSA-O
MW284.38 g/mol
LogP3.88
Rot. Bonds

About 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene

12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene (PubChem CID 132582415) has the molecular formula C21H18N+ and a molecular weight of 284.38 g/mol. Its IUPAC name is 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene.

Molecular Properties

Compound Name12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
PubChem CID132582415
Molecular FormulaC21H18N+
Molecular Weight284.38 g/mol
Exact Mass284.14
IUPAC Name12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
SMILESc1ccc2c(c1)CC1c3ccccc3C(C2)c2[nH+]cccc21
InChIInChI=1S/C21H17N/c1-2-7-15-13-20-17-9-4-3-8-16(17)19(12-14(15)6-1)18-10-5-11-22-21(18)20/h1-11,19-20H,12-13H2/p+1
InChIKeyJQFALAWMCAAKOX-UHFFFAOYSA-O
XLogP3.88
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

13-methyl-13-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
CID 132507528
12-methyl-12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene
CID 102363413
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
1-(2-cyclohexylphenyl)-1,2-dihydroacenaphthylene
CID 174425493
CID 87918176
CID 87918176
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
CID 14140318
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884

Frequently Asked Questions

What is the IUPAC name of 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene?
The IUPAC name of 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene (CID 132582415) is 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene.
What is the SMILES notation for 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene?
The canonical SMILES for 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene is c1ccc2c(c1)CC1c3ccccc3C(C2)c2[nH+]cccc21.
What is the InChIKey of 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene?
The InChIKey is JQFALAWMCAAKOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H17N/c1-2-7-15-13-20-17-9-4-3-8-16(17)19(12-14(15)6-1)18-10-5-11-22-21(18)20/h1-11,19-20H,12-13H2/p+1.
What are the key properties of 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene?
12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene has a molecular weight of 284.38 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azoniapentacyclo[8.6.6.03,8.011,16.017,22]docosa-3,5,7,11(16),12,14,17,19,21-nonaene is sourced from PubChem (CID 132582415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).