N1,N6-bis(4-tert-butylphenyl)-N1,N6-dipyridin-2-yl-pyrene-1,6-diamine

Systemtic Name: N1,N6-bis(4-tert-butylphenyl)-N1,N6-dipyridin-2-yl-pyrene-1,6-diamine Openeye Name: N1,N6-bis(4-tert-butylphenyl)-N1,N6-bis(2-pyridyl)pyrene-1,6-diamine CAS Name: N1,N6-bis(4-tert-butylphenyl)-N1,N6-bis(2-pyridinyl)pyrene-1,6-diamine IUPAC Name: 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine Traditional Name: (4-tert-butylphenyl)-[6-[4-tert-butyl-N-(2-pyridyl)anilino]pyren-1-yl]-(2-pyridyl)amine Formula: C46H42N4 MolecularWeight: 650.85248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=C(C=C6)C(C)(C)C)C7=CC=CC=N7)C=C2)C8=CC=CC=N8

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)N(C6=CC=C(C=C6)C(C)(C)C)C7=CC=CC=N7)C=C2)C8=CC=CC=N8

InChI

InChI=1S/C46H42N4/c1-45(2,3)33-17-21-35(22-18-33)49(41-11-7-9-29-47-41)39-27-15-31-14-26-38-40(28-16-32-13-25-37(39)43(31)44(32)38)50(42-12-8-10-30-48-42)36-23-19-34(20-24-36)46(4,5)6/h7-30H,1-6H3