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

Systemtic Name: 1,2,3,4-tetrakis[2,4-bis(2-ethylhexyl)phenyl]biphenylene Openeye Name: 1,2,3,4-tetrakis[2,4-bis(2-ethylhexyl)phenyl]biphenylene CAS Name: 1,2,3,4-tetrakis[2,4-bis(2-ethylhexyl)phenyl]biphenylene IUPAC Name: 1,2,3,4-tetrakis[2,4-bis(2-ethylhexyl)phenyl]biphenylene Traditional Name: 1,2,3,4-tetrakis[2,4-bis(2-ethylhexyl)phenyl]biphenylene Formula: C100H152 MolecularWeight: 1354.27688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C=C(C=C5)CC(CC)CCCC)CC(CC)CCCC)C6=C(C=C(C=C6)CC(CC)CCCC)CC(CC)CCCC)C7=C(C=C(C=C7)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=C(C=C(C=C5)CC(CC)CCCC)CC(CC)CCCC)C6=C(C=C(C=C6)CC(CC)CCCC)CC(CC)CCCC)C7=C(C=C(C=C7)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

InChI

InChI=1S/C100H152/c1-17-33-43-73(25-9)61-81-53-57-89(85(69-81)65-77(29-13)47-37-21-5)95-96(90-58-54-82(62-74(26-10)44-34-18-2)70-86(90)66-78(30-14)48-38-22-6)98(92-60-56-84(64-76(28-12)46-36-20-4)72-88(92)68-80(32-16)50-40-24-8)100-94-52-42-41-51-93(94)99(100)97(95)91-59-55-83(63-75(27-11)45-35-19-3)71-87(91)67-79(31-15)49-39-23-7/h41-42,51-60,69-80H,17-40,43-50,61-68H2,1-16H3