morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene

C20H23N3O — CID 177392936

IUPACmorpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene
SMILESc1cc2ccc1CCc1ccc(c(/N=N/N3CCOCC3)c1)CC2
InChIInChI=1S/C20H23N3O/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)20(15-18)21-22-23-11-13-24-14-12-23/h1-4,8,10,15H,5-7,9,11-14H2/b22-21+
InChIKeyCPJOLKKEWHPCPY-QURGRASLSA-N
MW321.42 g/mol
LogP3.90
Rot. Bonds2

About morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene

morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene (PubChem CID 177392936) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene.

Molecular Properties

Compound Namemorpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene
PubChem CID177392936
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Namemorpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene
SMILESc1cc2ccc1CCc1ccc(c(/N=N/N3CCOCC3)c1)CC2
InChIInChI=1S/C20H23N3O/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)20(15-18)21-22-23-11-13-24-14-12-23/h1-4,8,10,15H,5-7,9,11-14H2/b22-21+
InChIKeyCPJOLKKEWHPCPY-QURGRASLSA-N
XLogP3.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 138453615
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
CID 54043988
4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine
CID 170869416
6-morpholin-4-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzo[de]isoquinoline-1,3-dione
CID 164793560
potassium 4-(morpholin-4-yldiazenyl)benzenesulfonic acid
CID 126467905
[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene
CID 142637687
1-(2,3-dihydro-1H-inden-5-yl)-N-morpholin-4-ylethanimine
CID 71943522
3-[4-(morpholin-4-yldiazenyl)phenoxy]propan-1-ol
CID 102354378
2-morpholin-4-yl-2,3-dihydro-1H-inden-5-ol
CID 105474299
4-(morpholin-4-yliminomethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 160604648
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
CID 1235130

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene?
The IUPAC name of morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene (CID 177392936) is morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene.
What is the SMILES notation for morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene?
The canonical SMILES for morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene is c1cc2ccc1CCc1ccc(c(/N=N/N3CCOCC3)c1)CC2.
What is the InChIKey of morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene?
The InChIKey is CPJOLKKEWHPCPY-QURGRASLSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-17-4-2-16(1)5-6-18-8-10-19(9-7-17)20(15-18)21-22-23-11-13-24-14-12-23/h1-4,8,10,15H,5-7,9,11-14H2/b22-21+.
What are the key properties of morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene?
morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene has a molecular weight of 321.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene is sourced from PubChem (CID 177392936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).