1,1,4,4-tetraphenyl-2,5-dihydropyrene

Systemtic Name: 1,1,4,4-tetraphenyl-2,5-dihydropyrene Openeye Name: 1,1,4,4-tetraphenyl-2,5-dihydropyrene CAS Name: 1,1,4,4-tetraphenyl-2,5-dihydropyrene IUPAC Name: 1,1,4,4-tetraphenyl-2,5-dihydropyrene Traditional Name: 1,1,4,4-tetraphenyl-2,5-dihydropyrene Formula: C40H30 MolecularWeight: 510.6662

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C3=C(C1(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=C3C(=CC=C6)CC2(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1C=C2C3=C(C1(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=C3C(=CC=C6)CC2(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C40H30/c1-5-16-31(17-6-1)39(32-18-7-2-8-19-32)27-26-36-38-35(39)25-24-29-14-13-15-30(37(29)38)28-40(36,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-26H,27-28H2