UNPD69632
AlkaPlorer ID: AK321889
Synonym: None
IUPAC Name: (30E,38Z)-30,38-di(ethylidene)-16,32-dimethyl-10-oxa-8,26-diaza-16,32-diazoniadodecacyclo[27.5.2.213,16.18,12.01,9.02,7.09,28.011,19.011,26.015,19.020,25.032,35]nonatriaconta-2,4,6,12(39),20,22,24,27-octaene
Structure
SMILES: C/C=C1\C[N+]2(C)CCC34C5=CC=CC=C5N5C=C6C7CC8C9(CC[N+]8(C)C/C7=C/C)C7=CC=CC=C7N7C=C(C1CC32)C54OC679
InChI: InChI=1S/C40H44N4O/c1-5-25-23-43(3)17-15-37-29-11-7-10-14-34(29)42-22-32-28-20-36-38(16-18-44(36,4)24-26(28)6-2)30-12-8-9-13-33(30)41-21-31(27(25)19-35(37)43)39(37,42)45-40(32,38)41/h5-14,21-22,27-28,35-36H,15-20,23-24H2,1-4H3/q+2/b25-5-,26-6+
InChIKey: DWELRYDMYVJVSL-NOSIZSRCSA-N
Source
Properties Information
Molecule Weight: 596.8190000000003
TPSA？: 15.71
MolLogP？: 6.104000000000007
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 12
Activities Information
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