13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene

C22H15N2+ — CID 20784034

IUPAC13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene
SMILESc1ccc2c(c1)ccc1[n+]2Cn2c3ccccc3c3cccc-1c32
InChIInChI=1S/C22H15N2/c1-3-10-19-15(6-1)12-13-21-18-9-5-8-17-16-7-2-4-11-20(16)24(22(17)18)14-23(19)21/h1-13H,14H2/q+1
InChIKeyINFQZCWVBZZCDQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.72
Rot. Bonds

About 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene

13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene (PubChem CID 20784034) has the molecular formula C22H15N2+ and a molecular weight of 307.38 g/mol. Its IUPAC name is 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene.

Molecular Properties

Compound Name13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene
PubChem CID20784034
Molecular FormulaC22H15N2+
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene
SMILESc1ccc2c(c1)ccc1[n+]2Cn2c3ccccc3c3cccc-1c32
InChIInChI=1S/C22H15N2/c1-3-10-19-15(6-1)12-13-21-18-9-5-8-17-16-7-2-4-11-20(16)24(22(17)18)14-23(19)21/h1-13H,14H2/q+1
InChIKeyINFQZCWVBZZCDQ-UHFFFAOYSA-N
XLogP4.72
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene with MolForge

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Related Compounds

1-oxido-2-(1-oxidoindol-3-yl)quinolin-1-ium
CID 173194150
2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
CID 175841087
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
spiro[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,11'-3-oxa-12-aza-10-azonia-11-boranuidahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(22),2(10),4,6,8,13,15,17,19(23),20-decaene]
CID 139189539
[(E)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-4-ylideneamino] acetate
CID 89151275
CID 176917271
CID 176917271
(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene
CID 167253368
1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine
CID 102253898
9-methyl-1-quinolin-2-ylcarbazole
CID 140671194
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306

Frequently Asked Questions

What is the IUPAC name of 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene?
The IUPAC name of 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene (CID 20784034) is 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene.
What is the SMILES notation for 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene?
The canonical SMILES for 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene is c1ccc2c(c1)ccc1[n+]2Cn2c3ccccc3c3cccc-1c32.
What is the InChIKey of 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene?
The InChIKey is INFQZCWVBZZCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N2/c1-3-10-19-15(6-1)12-13-21-18-9-5-8-17-16-7-2-4-11-20(16)24(22(17)18)14-23(19)21/h1-13H,14H2/q+1.
What are the key properties of 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene?
13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene has a molecular weight of 307.38 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene is sourced from PubChem (CID 20784034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).