4-dodecoxy-2-[10,15,20-tris(2-azanyl-5-dodecoxy-phenyl)-21,24-dihydroporphyrin-5-yl]aniline

Systemtic Name: 4-dodecoxy-2-[10,15,20-tris(2-azanyl-5-dodecoxy-phenyl)-21,24-dihydroporphyrin-5-yl]aniline Openeye Name: 4-dodecoxy-2-[10,15,20-tris(2-amino-5-dodecoxy-phenyl)-21,24-dihydroporphyrin-5-yl]aniline CAS Name: 4-dodecoxy-2-[10,15,20-tris(2-amino-5-dodecoxyphenyl)-21,24-dihydroporphyrin-5-yl]aniline IUPAC Name: 4-dodecoxy-2-[10,15,20-tris(2-amino-5-dodecoxyphenyl)-21,24-dihydroporphyrin-5-yl]aniline Traditional Name: [4-lauryloxy-2-[10,15,20-tris(2-amino-5-lauryloxy-phenyl)-21,22-dihydroporphin-5-yl]phenyl]amine Formula: C92H130N8O4 MolecularWeight: 1412.0678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)N)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC(=C7)OCCCCCCCCCCCC)N)C8=C(C=CC(=C8)OCCCCCCCCCCCC)N)C9=C(C=CC(=C9)OCCCCCCCCCCCC)N)N3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)N)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC(=C7)OCCCCCCCCCCCC)N)C8=C(C=CC(=C8)OCCCCCCCCCCCC)N)C9=C(C=CC(=C9)OCCCCCCCCCCCC)N)N3

InChI

InChI=1S/C92H130N8O4/c1-5-9-13-17-21-25-29-33-37-41-61-101-69-45-49-77(93)73(65-69)89-81-53-55-83(97-81)90(74-66-70(46-50-78(74)94)102-62-42-38-34-30-26-22-18-14-10-6-2)85-57-59-87(99-85)92(76-68-72(48-52-80(76)96)104-64-44-40-36-32-28-24-20-16-12-8-4)88-60-58-86(100-88)91(84-56-54-82(89)98-84)75-67-71(47-51-79(75)95)103-63-43-39-35-31-27-23-19-15-11-7-3/h45-60,65-68,97-98H,5-44,61-64,93-96H2,1-4H3