N-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-N-phenyl-pyren-2-amine

Systemtic Name: N-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-N-phenyl-pyren-2-amine Openeye Name: N-[4-[4,6-bis(o-tolyl)-1,3,5-triazin-2-yl]phenyl]-N-phenyl-pyren-2-amine CAS Name: N-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-N-phenyl-2-pyrenamine IUPAC Name: N-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-N-phenylpyren-2-amine Traditional Name: [4-[4,6-bis(o-tolyl)-s-triazin-2-yl]phenyl]-phenyl-pyren-2-yl-amine Formula: C45H32N4 MolecularWeight: 628.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)C9=CC=CC=C9C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C7C(=C5)C=CC8=C7C(=CC=C8)C=C6)C9=CC=CC=C9C

InChI

InChI=1S/C45H32N4/c1-29-11-6-8-17-39(29)44-46-43(47-45(48-44)40-18-9-7-12-30(40)2)33-23-25-37(26-24-33)49(36-15-4-3-5-16-36)38-27-34-21-19-31-13-10-14-32-20-22-35(28-38)42(34)41(31)32/h3-28H,1-2H3