1,2,3,4-tetrakis(2-iodanyl-4-propan-2-yl-phenyl)biphenylene

Systemtic Name: 1,2,3,4-tetrakis(2-iodanyl-4-propan-2-yl-phenyl)biphenylene Openeye Name: 1,2,3,4-tetrakis(2-iodo-4-isopropyl-phenyl)biphenylene CAS Name: 1,2,3,4-tetrakis(2-iodo-4-propan-2-ylphenyl)biphenylene IUPAC Name: 1,2,3,4-tetrakis(2-iodo-4-propan-2-ylphenyl)biphenylene Traditional Name: 1,2,3,4-tetrakis(2-iodo-4-isopropyl-phenyl)biphenylene Formula: C48H44I4 MolecularWeight: 1128.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C=C(C=C5)C(C)C)I)C6=C(C=C(C=C6)C(C)C)I)C7=C(C=C(C=C7)C(C)C)I)I

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C=C(C=C5)C(C)C)I)C6=C(C=C(C=C6)C(C)C)I)C7=C(C=C(C=C7)C(C)C)I)I

InChI

InChI=1S/C48H44I4/c1-25(2)29-13-17-35(39(49)21-29)45-43-33-11-9-10-12-34(33)44(43)46(36-18-14-30(26(3)4)22-40(36)50)48(38-20-16-32(28(7)8)24-42(38)52)47(45)37-19-15-31(27(5)6)23-41(37)51/h9-28H,1-8H3