1,2,3,4-tetrakis[4-(2-iodanylbutyl)phenyl]biphenylene

Systemtic Name: 1,2,3,4-tetrakis[4-(2-iodanylbutyl)phenyl]biphenylene Openeye Name: 1,2,3,4-tetrakis[4-(2-iodobutyl)phenyl]biphenylene CAS Name: 1,2,3,4-tetrakis[4-(2-iodobutyl)phenyl]biphenylene IUPAC Name: 1,2,3,4-tetrakis[4-(2-iodobutyl)phenyl]biphenylene Traditional Name: 1,2,3,4-tetrakis[4-(2-iodobutyl)phenyl]biphenylene Formula: C52H52I4 MolecularWeight: 1184.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=C(C(=C3C4=CC=CC=C4C3=C2C5=CC=C(C=C5)CC(CC)I)C6=CC=C(C=C6)CC(CC)I)C7=CC=C(C=C7)CC(CC)I)I

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=C(C(=C3C4=CC=CC=C4C3=C2C5=CC=C(C=C5)CC(CC)I)C6=CC=C(C=C6)CC(CC)I)C7=CC=C(C=C7)CC(CC)I)I

InChI

InChI=1S/C52H52I4/c1-5-41(53)29-33-13-21-37(22-14-33)47-48(38-23-15-34(16-24-38)30-42(54)6-2)50(40-27-19-36(20-28-40)32-44(56)8-4)52-46-12-10-9-11-45(46)51(52)49(47)39-25-17-35(18-26-39)31-43(55)7-3/h9-28,41-44H,5-8,29-32H2,1-4H3