2,5-bis[bis[4-(4-phenylcyclohexyl)phenyl]amino]pyran-4-one

Systemtic Name: 2,5-bis[bis[4-(4-phenylcyclohexyl)phenyl]amino]pyran-4-one Openeye Name: 2,5-bis[4-(4-phenylcyclohexyl)-N-[4-(4-phenylcyclohexyl)phenyl]anilino]pyran-4-one CAS Name: 2,5-bis[4-(4-phenylcyclohexyl)-N-[4-(4-phenylcyclohexyl)phenyl]anilino]-4-pyranone IUPAC Name: 2,5-bis[4-(4-phenylcyclohexyl)-N-[4-(4-phenylcyclohexyl)phenyl]anilino]pyran-4-one Traditional Name: 2,5-bis[4-(4-phenylcyclohexyl)-N-[4-(4-phenylcyclohexyl)phenyl]anilino]pyran-4-one Formula: C77H78N2O2 MolecularWeight: 1063.45542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5CCC(CC5)C6=CC=CC=C6)C7=CC(=O)C(=CO7)N(C8=CC=C(C=C8)C9CCC(CC9)C1=CC=CC=C1)C1=CC=C(C=C1)C1CCC(CC1)C1=CC=CC=C1

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5CCC(CC5)C6=CC=CC=C6)C7=CC(=O)C(=CO7)N(C8=CC=C(C=C8)C9CCC(CC9)C1=CC=CC=C1)C1=CC=C(C=C1)C1CCC(CC1)C1=CC=CC=C1

InChI

InChI=1S/C77H78N2O2/c80-76-53-77(79(73-49-41-69(42-50-73)65-33-25-61(26-34-65)57-17-9-3-10-18-57)74-51-43-70(44-52-74)66-35-27-62(28-36-66)58-19-11-4-12-20-58)81-54-75(76)78(71-45-37-67(38-46-71)63-29-21-59(22-30-63)55-13-5-1-6-14-55)72-47-39-68(40-48-72)64-31-23-60(24-32-64)56-15-7-2-8-16-56/h1-20,37-54,59-66H,21-36H2