N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]-2,6-di(propan-2-yl)aniline

Systemtic Name: N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]-2,6-di(propan-2-yl)aniline Openeye Name: 2,6-diisopropyl-N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]aniline CAS Name: N-[(1-methanidyl-6-phenyl-2-pyridin-1-iumyl)-(9-phenanthrenyl)methyl]-2,6-di(propan-2-yl)aniline IUPAC Name: N-[(1-methanidyl-6-phenylpyridin-1-ium-2-yl)-phenanthren-9-ylmethyl]-2,6-di(propan-2-yl)aniline Traditional Name: (2,6-diisopropylphenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]amine Formula: C39H38N2 MolecularWeight: 534.73242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C39H38N2/c1-26(2)30-21-13-22-31(27(3)4)38(30)40-39(37-24-14-23-36(41(37)5)28-15-7-6-8-16-28)35-25-29-17-9-10-18-32(29)33-19-11-12-20-34(33)35/h6-27,39-40H,5H2,1-4H3