1,2,3,4-tetrakis[2,4-di(butan-2-yl)-5-ethyl-phenyl]biphenylene

Systemtic Name: 1,2,3,4-tetrakis[2,4-di(butan-2-yl)-5-ethyl-phenyl]biphenylene Openeye Name: 1,2,3,4-tetrakis(5-ethyl-2,4-disec-butyl-phenyl)biphenylene CAS Name: 1,2,3,4-tetrakis[2,4-di(butan-2-yl)-5-ethylphenyl]biphenylene IUPAC Name: 1,2,3,4-tetrakis[2,4-di(butan-2-yl)-5-ethylphenyl]biphenylene Traditional Name: 1,2,3,4-tetrakis(5-ethyl-2,4-disec-butyl-phenyl)biphenylene Formula: C76H104 MolecularWeight: 1017.63896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=CC(=C(C=C5C(C)CC)C(C)CC)CC)C6=CC(=C(C=C6C(C)CC)C(C)CC)CC)C7=CC(=C(C=C7C(C)CC)C(C)CC)CC)C(C)CC)C(C)CC

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=C(C(=C(C3=C2C4=CC=CC=C43)C5=CC(=C(C=C5C(C)CC)C(C)CC)CC)C6=CC(=C(C=C6C(C)CC)C(C)CC)CC)C7=CC(=C(C=C7C(C)CC)C(C)CC)CC)C(C)CC)C(C)CC

InChI

InChI=1S/C76H104/c1-21-45(13)59-41-63(49(17)25-5)67(37-53(59)29-9)73-71-57-35-33-34-36-58(57)72(71)74(68-38-54(30-10)60(46(14)22-2)42-64(68)50(18)26-6)76(70-40-56(32-12)62(48(16)24-4)44-66(70)52(20)28-8)75(73)69-39-55(31-11)61(47(15)23-3)43-65(69)51(19)27-7/h33-52H,21-32H2,1-20H3