UNPD58421
AlkaPlorer ID: AK318742
Synonym: None
IUPAC Name: (1R,11S,13S,17R,27S,28E,33S,35S,36S,38E)-28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
Structure
SMILES: C/C=C1/CN2CC[C@@]34C5=CC=CC=C5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89C8=CC=CC=C8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C/C7=C/C
InChI: InChI=1S/C38H40N4/c1-3-23-19-39-15-13-37-29-9-5-8-12-32(29)42-22-28-26-18-34-38(14-16-40(34)20-24(26)4-2)30-10-6-7-11-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-12,21-22,25-26,33-36H,13-20H2,1-2H3/b23-3-,24-4-,27-21?,28-22?/t25-,26-,33-,34-,35-,36-,37+,38+/m0/s1
InChIKey: XISKMNBBUQQBBE-CKFFPJIXSA-N
Source
Properties Information
Molecule Weight: 552.7660000000002
TPSA？: 12.96
MolLogP？: 6.129200000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 11
Activities Information
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