1,2-dicyclohexyl-6-(5,6-dicyclohexylcoronen-1-yl)oxy-coronene

Systemtic Name: 1,2-dicyclohexyl-6-(5,6-dicyclohexylcoronen-1-yl)oxy-coronene Openeye Name: 1,2-dicyclohexyl-6-(5,6-dicyclohexylcoronen-1-yl)oxy-coronene CAS Name: 1,2-dicyclohexyl-6-[(5,6-dicyclohexyl-1-coronenyl)oxy]coronene IUPAC Name: 1,2-dicyclohexyl-6-(5,6-dicyclohexylcoronen-1-yl)oxycoronene Traditional Name: 1,2-dicyclohexyl-6-(5,6-dicyclohexylcoronen-1-yl)oxy-coronene Formula: C72H62O MolecularWeight: 943.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C4C5=C6C(=C(C=C5C=C3)OC7=C8C=CC9=C1C8=C3C(=C7)C=CC5=C3C3=C(C=CC(=C13)C=C9)C(=C5C1CCCCC1)C1CCCCC1)C=CC1=C6C3=C(C=C1)C=CC2=C34)C1CCCCC1

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C4C5=C6C(=C(C=C5C=C3)OC7=C8C=CC9=C1C8=C3C(=C7)C=CC5=C3C3=C(C=CC(=C13)C=C9)C(=C5C1CCCCC1)C1CCCCC1)C=CC1=C6C3=C(C=C1)C=CC2=C34)C1CCCCC1

InChI

InChI=1S/C72H62O/c1-5-13-39(14-6-1)57-51-33-27-45-23-21-43-25-31-49-55(37-47-29-35-53(59(57)41-17-9-3-10-18-41)71-65(47)67(49)61(43)63(45)69(51)71)73-56-38-48-30-36-54-60(42-19-11-4-12-20-42)58(40-15-7-2-8-16-40)52-34-28-46-24-22-44-26-32-50(56)68-62(44)64(46)70(52)72(54)66(48)68/h21-42H,1-20H2