N2,N7-diphenyl-N2,N7-bis(10-phenylanthracen-9-yl)-4,5,9,10-tetrahydropyrene-2,7-diamine

Systemtic Name: N2,N7-diphenyl-N2,N7-bis(10-phenylanthracen-9-yl)-4,5,9,10-tetrahydropyrene-2,7-diamine Openeye Name: N2,N7-diphenyl-N2,N7-bis(10-phenyl-9-anthryl)-4,5,9,10-tetrahydropyrene-2,7-diamine CAS Name: N2,N7-diphenyl-N2,N7-bis(10-phenyl-9-anthracenyl)-4,5,9,10-tetrahydropyrene-2,7-diamine IUPAC Name: 2-N,7-N-diphenyl-2-N,7-N-bis(10-phenylanthracen-9-yl)-4,5,9,10-tetrahydropyrene-2,7-diamine Traditional Name: phenyl-(10-phenyl-9-anthryl)-[7-(N-(10-phenyl-9-anthryl)anilino)-4,5,9,10-tetrahydropyren-2-yl]amine Formula: C68H48N2 MolecularWeight: 893.12212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=CC3=C2C4=C(CC3)C=C(C=C41)N(C5=CC=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=CC=C9)N(C1=CC=CC=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC=C1

Isomeric SMILES

C1CC2=CC(=CC3=C2C4=C(CC3)C=C(C=C41)N(C5=CC=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=CC=C9)N(C1=CC=CC=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC=C1

InChI

InChI=1S/C68H48N2/c1-5-21-45(22-6-1)65-55-29-13-17-33-59(55)67(60-34-18-14-30-56(60)65)69(51-25-9-3-10-26-51)53-41-47-37-39-49-43-54(44-50-40-38-48(42-53)63(47)64(49)50)70(52-27-11-4-12-28-52)68-61-35-19-15-31-57(61)66(46-23-7-2-8-24-46)58-32-16-20-36-62(58)68/h1-36,41-44H,37-40H2