(2,9)(6,9)-Purinophane structure

(2,9)(6,9)-Purinophane

1,6,8,11,13,15,20,23,26-nonazapentacyclo[17.5.2.06,10.09,14.022,25]hexacosa-7,10,12,14,19,21,23,25-octaen-21-amine

Also Known As: (2,9)(6,9)-Purinophane|KST-1A9393|1,6,8,11,13,15,20,23,26-nonaazapentacyclo[17.5.2.06,10.09,14.022,25]hexacosa-7,10,12,14,19,21,23,25-octaen-21-amine(non-preferred name)|1,6,8,11,13,15,20,23,26-nonazapentacyclo[17.5.2.06,10.09,14.022,25]hexacosa-7,10,12,14,19,21,23,25-octaen-21-amine|23,12-(Nitrilometheno)-7,11-metheno-2,20-(nitrilometheno)imidazo(1,5-l)(1,3,5,7,12,14)hexaazacyclooctadecin-21-amine, 3,4,5,6,13,14,15,16-octahydro-, (OC-6-63)-

CAS: 5449-10-5
Molecular Formula C17H20N10
Molecular Weight 364.18726 g/mol
LogP -0.4
Topological Polar Surface Area 122.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 0
Exact Mass 364.18726
Monoisotopic Mass 364.18726
Heavy Atoms 27
Complexity 685.0

Chemical Identifiers

CAS Number 5449-10-5
SMILES C1CCN2C=NC3=C(N=C(CCCN=C4C5C(=NC=N4)N(C1)C=N5)N=C32)N
InChIKey IKKPMUXPIYYTCB-UHFFFAOYSA-N

Product Overview

(2,9)(6,9)-Purinophane (CAS 5449-10-5), with molecular formula C17H20N10 and molecular weight 364.18726 g/mol. IUPAC: 1,6,8,11,13,15,20,23,26-nonazapentacyclo[17.5.2.06,10.09,14.022,25]hexacosa-7,10,12,14,19,21,23,25-octaen-21-amine.

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