dizinc 5,10,15-tri(tridecan-7-yl)-20-[4-[2-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,23-diide

Systemtic Name: dizinc 5,10,15-tri(tridecan-7-yl)-20-[4-[2-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,23-diide Openeye Name: dizinc 5,10,15-tris(1-hexylheptyl)-20-[4-[2-[4-[10,15,20-tris(1-hexylheptyl)porphyrin-23,24-diid-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,23-diide CAS Name: dizinc 5,10,15-tri(tridecan-7-yl)-20-[4-[2-[4-[10,15,20-tri(tridecan-7-yl)-5-porphyrin-23,24-diidyl]phenyl]ethynyl]phenyl]porphyrin-22,23-diide IUPAC Name: dizinc 5,10,15-tri(tridecan-7-yl)-20-[4-[2-[4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]ethynyl]phenyl]porphyrin-22,23-diide Traditional Name: dizinc 5,10,15-tris(1-hexylheptyl)-20-[4-[2-[4-[10,15,20-tris(1-hexylheptyl)porphine-23,24-diid-5-yl]phenyl]ethynyl]phenyl]porphine-22,23-diide Formula: C132H186N8Zn2 MolecularWeight: 2015.76084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C8=C9C=CC(=N9)C(=C1C=CC(=C(C3=CC=C([N-]3)C(=C3C=CC8=N3)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]1)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]2.[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C8=C9C=CC(=N9)C(=C1C=CC(=C(C3=CC=C([N-]3)C(=C3C=CC8=N3)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]1)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)[N-]2.[Zn+2].[Zn+2]

InChI

InChI=1S/C132H186N8.2Zn/c1-13-25-37-49-61-101(62-50-38-26-14-2)125-109-83-87-113(133-109)127(103(65-53-41-29-17-5)66-54-42-30-18-6)117-91-95-121(137-117)131(122-96-92-118(138-122)128(114-88-84-110(125)134-114)104(67-55-43-31-19-7)68-56-44-32-20-8)107-79-75-99(76-80-107)73-74-100-77-81-108(82-78-100)132-123-97-93-119(139-123)129(105(69-57-45-33-21-9)70-58-46-34-22-10)115-89-85-111(135-115)126(102(63-51-39-27-15-3)64-52-40-28-16-4)112-86-90-116(136-112)130(120-94-98-124(132)140-120)106(71-59-47-35-23-11)72-60-48-36-24-12;;/h75-98,101-106H,13-72H2,1-12H3;;/q-4;2*+2