3-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]adamantane-1-carboxylic acid Openeye Name: 3-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]adamantane-1-carboxylic acid CAS Name: 3-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]adamantane-1-carboxylic acid Traditional Name: 3-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl]adamantane-1-carboxylic acid Formula: C55H44N4O2 MolecularWeight: 792.96346

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)C5=C6C=CC(=N6)C(=C7C=CC(=C(C8=CC=C(N8)C(=C9C=CC5=N9)C1=CC=CC=C1)C1=CC=CC=C1)N7)C1=CC=CC=C1

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)C5=C6C=CC(=N6)C(=C7C=CC(=C(C8=CC=C(N8)C(=C9C=CC5=N9)C1=CC=CC=C1)C1=CC=CC=C1)N7)C1=CC=CC=C1

InChI

InChI=1S/C55H44N4O2/c60-53(61)55-31-34-28-35(32-55)30-54(29-34,33-55)40-18-16-39(17-19-40)52-47-26-24-45(58-47)50(37-12-6-2-7-13-37)43-22-20-41(56-43)49(36-10-4-1-5-11-36)42-21-23-44(57-42)51(38-14-8-3-9-15-38)46-25-27-48(52)59-46/h1-27,34-35,56-57H,28-33H2,(H,60,61)