3-[4-(2,7-ditert-butylpyren-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole

Systemtic Name: 3-[4-(2,7-ditert-butylpyren-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[4-(2,7-ditert-butylpyren-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[4-(2,7-ditert-butyl-4-pyrenyl)phenyl]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[4-(2,7-ditert-butylpyren-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[4-(2,7-ditert-butylpyren-4-yl)phenyl]-4,5-diphenyl-1,2,4-triazole Formula: C44H39N3 MolecularWeight: 609.80056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)C5=CC=C(C=C5)C6=NN=C(N6C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)C1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)C5=CC=C(C=C5)C6=NN=C(N6C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H39N3/c1-43(2,3)34-23-31-21-22-32-24-35(44(4,5)6)27-38-37(26-33(25-34)39(31)40(32)38)28-17-19-30(20-18-28)42-46-45-41(29-13-9-7-10-14-29)47(42)36-15-11-8-12-16-36/h7-27H,1-6H3