[anthracen-9-yl-(1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)methyl]-(2-methylnaphthalen-1-yl)azanide; hafnium(4+); methanidylbenzene

Systemtic Name: [anthracen-9-yl-(1-methanidyl-6-naphthalen-1-yl-pyridin-1-ium-2-yl)methyl]-(2-methylnaphthalen-1-yl)azanide; hafnium(4+); methanidylbenzene Openeye Name: [9-anthryl-[1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]methyl]-(2-methyl-1-naphthyl)azanide; hafnium(4+); methanidylbenzene CAS Name: [9-anthracenyl-[1-methanidyl-6-(1-naphthalenyl)-2-pyridin-1-iumyl]methyl]-(2-methyl-1-naphthalenyl)azanide; hafnium(4+); methanidylbenzene IUPAC Name: [anthracen-9-yl-(1-methanidyl-6-naphthalen-1-ylpyridin-1-ium-2-yl)methyl]-(2-methylnaphthalen-1-yl)azanide; hafnium(4+); methanidylbenzene Traditional Name: [9-anthryl-[1-methanidyl-6-(1-naphthyl)pyridin-1-ium-2-yl]methyl]-(2-methyl-1-naphthyl)azanide; hafnium(4+); methanidylbenzene Formula: C63H52HfN2 MolecularWeight: 1015.59038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)[N-]C(C3=CC=CC(=[N+]3[CH2-])C4=CC=CC5=CC=CC=C54)C6=C7C=CC=CC7=CC8=CC=CC=C86.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)[N-]C(C3=CC=CC(=[N+]3[CH2-])C4=CC=CC5=CC=CC=C54)C6=C7C=CC=CC7=CC8=CC=CC=C86.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Hf+4]

InChI

InChI=1S/C42H31N2.3C7H7.Hf/c1-28-25-26-30-14-4-10-21-36(30)41(28)43-42(40-34-19-8-5-15-31(34)27-32-16-6-9-20-35(32)40)39-24-12-23-38(44(39)2)37-22-11-17-29-13-3-7-18-33(29)37;3*1-7-5-3-2-4-6-7;/h3-27,42H,2H2,1H3;3*2-6H,1H2;/q4*-1;+4