4-(2-phenylphenyl)-1-pyren-1-yl-2-pyren-2-yl-3-pyren-4-yl-1,4,4a,5,5a,6,6a,10a-octahydrotetracene

Systemtic Name: 4-(2-phenylphenyl)-1-pyren-1-yl-2-pyren-2-yl-3-pyren-4-yl-1,4,4a,5,5a,6,6a,10a-octahydrotetracene Openeye Name: 4-(2-phenylphenyl)-1-pyren-1-yl-2-pyren-2-yl-3-pyren-4-yl-1,4,4a,5,5a,6,6a,10a-octahydrotetracene CAS Name: 4-(2-phenylphenyl)-1-(1-pyrenyl)-2-(2-pyrenyl)-3-(4-pyrenyl)-1,4,4a,5,5a,6,6a,10a-octahydrotetracene IUPAC Name: 4-(2-phenylphenyl)-1-pyren-1-yl-2-pyren-2-yl-3-pyren-4-yl-1,4,4a,5,5a,6,6a,10a-octahydrotetracene Traditional Name: 4-(2-phenylphenyl)-1-pyren-1-yl-2-pyren-2-yl-3-pyren-4-yl-1,4,4a,5,5a,6,6a,10a-octahydrotetracene Formula: C78H52 MolecularWeight: 989.24748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3C(C(=C(C(C3=CC2=CC4C1C=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)C1=CC=CC=C1C1=CC=CC=C1

Isomeric SMILES

C1C2CC3C(C(=C(C(C3=CC2=CC4C1C=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1)C1=CC2=CC=CC3=C2C2=C(C=CC=C12)C=C3)C1=CC=CC=C1C1=CC=CC=C1

InChI

InChI=1S/C78H52/c1-2-12-45(13-3-1)61-23-6-7-24-62(61)77-68-44-59-39-54-15-5-4-14-53(54)38-58(59)43-67(68)76(65-37-35-52-29-27-48-18-9-19-50-34-36-64(65)74(52)70(48)50)75(60-40-56-32-30-46-16-8-17-47-31-33-57(41-60)72(56)69(46)47)78(77)66-42-55-22-10-20-49-26-28-51-21-11-25-63(66)73(51)71(49)55/h1-38,40-43,53-54,59,68,76-77H,39,44H2