(2,9)(6,9)-Purinophane
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Basic information
- CAS
97961-51-8- Standard SMILES
Nc1nc2nc3c1ncn3CCCCN1C=NC3C(=NCCC2)N=CN=C31- InChIKey
IKKPMUXPIYYTCB-XDJHFCHBSA-N- Molecular formula
- C17H20N10
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18724068
Names & identifiers
- Preferred name
- (2,9)(6,9)-Purinophane
- 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
- English name
- (2,9)(6,9)-purinophane
- Molecular formula
- C17H20N10
- Molecular weight
- 364.4077
Names & synonyms
(2,9)(6,9)-Purinophane97961-51-81,6,8,11,13,15,20,23,26-nonazapentacyclo[17.5.2.06,10.09,14.022,25]hexacosa-7,10,12,14,19,21,23,25-octaen-21-amine23,12-(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)-PubChem ID: 126971
Database identifiers
- CAS
97961-51-8- PubChem CID
- 126971
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
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Compound notes
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