4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-N,N-diethyl-butan-1-amine; nickel(2+)

Systemtic Name: 4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-N,N-diethyl-butan-1-amine; nickel(2+) Openeye Name: nickelous 4-(15-butyl-10,20-diphenyl-porphyrin-22,24-diid-5-yl)-N,N-diethyl-butan-1-amine CAS Name: 4-(15-butyl-10,20-diphenyl-5-porphyrin-22,24-diidyl)-N,N-diethyl-1-butanamine; nickel(2+) IUPAC Name: 4-(15-butyl-10,20-diphenylporphyrin-22,24-diid-5-yl)-N,N-diethylbutan-1-amine; nickel(2+) Traditional Name: nickelous 4-(15-butyl-10,20-diphenyl-porphine-22,24-diid-5-yl)butyl-diethyl-amine Formula: C44H45N5Ni MolecularWeight: 702.555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCCN(CC)CC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

Isomeric SMILES

CCCCC1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C6=CC=CC=C6)CCCCN(CC)CC)C=C3)C7=CC=CC=C7)[N-]2.[Ni+2]

InChI

InChI=1S/C44H45N5.Ni/c1-4-7-20-33-35-22-26-39(45-35)43(31-16-10-8-11-17-31)41-28-24-37(47-41)34(21-14-15-30-49(5-2)6-3)38-25-29-42(48-38)44(32-18-12-9-13-19-32)40-27-23-36(33)46-40;/h8-13,16-19,22-29H,4-7,14-15,20-21,30H2,1-3H3;/q-2;+2