dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptylporphyrin-23,24-diid-5-yl)pyridin-2-yl]pyridin-4-yl]porphyrin-22,23-diide

Systemtic Name: dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptylporphyrin-23,24-diid-5-yl)pyridin-2-yl]pyridin-4-yl]porphyrin-22,23-diide Openeye Name: dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptylporphyrin-23,24-diid-5-yl)-2-pyridyl]-4-pyridyl]porphyrin-22,23-diide CAS Name: dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptyl-5-porphyrin-23,24-diidyl)-2-pyridinyl]-4-pyridinyl]porphyrin-22,23-diide IUPAC Name: dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptylporphyrin-23,24-diid-5-yl)pyridin-2-yl]pyridin-4-yl]porphyrin-22,23-diide Traditional Name: dizinc; pyridine; 5,10,15-triheptyl-20-[2-[4-(10,15,20-triheptylporphine-23,24-diid-5-yl)-2-pyridyl]-4-pyridyl]porphine-22,23-diide Formula: C102H122N12Zn2 MolecularWeight: 1646.95848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC(=NC=C6)C7=NC=CC(=C7)C8=C9C=CC(=N9)C(=C1C=CC(=C(C3=CC=C([N-]3)C(=C3C=CC8=N3)CCCCCCC)CCCCCCC)[N-]1)CCCCCCC)CCCCCCC)CCCCCCC)[N-]2.C1=CC=NC=C1.C1=CC=NC=C1.[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC(=NC=C6)C7=NC=CC(=C7)C8=C9C=CC(=N9)C(=C1C=CC(=C(C3=CC=C([N-]3)C(=C3C=CC8=N3)CCCCCCC)CCCCCCC)[N-]1)CCCCCCC)CCCCCCC)CCCCCCC)[N-]2.C1=CC=NC=C1.C1=CC=NC=C1.[Zn+2].[Zn+2]

InChI

InChI=1S/C92H112N10.2C5H5N.2Zn/c1-7-13-19-25-31-37-67-73-43-47-77(95-73)69(39-33-27-21-15-9-3)81-51-55-85(99-81)91(86-56-52-82(100-86)70(40-34-28-22-16-10-4)78-48-44-74(67)96-78)65-59-61-93-89(63-65)90-64-66(60-62-94-90)92-87-57-53-83(101-87)71(41-35-29-23-17-11-5)79-49-45-75(97-79)68(38-32-26-20-14-8-2)76-46-50-80(98-76)72(42-36-30-24-18-12-6)84-54-58-88(92)102-84;2*1-2-4-6-5-3-1;;/h43-64H,7-42H2,1-6H3;2*1-5H;;/q-4;;;2*+2