1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]cyclohexan-1-amine

Systemtic Name: 1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]cyclohexan-1-amine Openeye Name: 1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]cyclohexanamine CAS Name: 1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-2-fluorenyl]-1-cyclohexanamine IUPAC Name: 1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]cyclohexan-1-amine Traditional Name: [1,2-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]cyclohexyl]amine Formula: C54H51N3S2 MolecularWeight: 806.13284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3CCCCC3(C4=CC5=C(C=C4)C6=C(C5(CC)CC)C=C(C=C6)C7=NC8=CC=CC=C8S7)N)C9=C1C=C(C=C9)C1=NC2=CC=CC=C2S1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3CCCCC3(C4=CC5=C(C=C4)C6=C(C5(CC)CC)C=C(C=C6)C7=NC8=CC=CC=C8S7)N)C9=C1C=C(C=C9)C1=NC2=CC=CC=C2S1)CC

InChI

InChI=1S/C54H51N3S2/c1-5-52(6-2)42-29-33(20-24-37(42)38-25-21-34(30-43(38)52)50-56-46-16-9-11-18-48(46)58-50)41-15-13-14-28-54(41,55)36-23-27-40-39-26-22-35(51-57-47-17-10-12-19-49(47)59-51)31-44(39)53(7-3,8-4)45(40)32-36/h9-12,16-27,29-32,41H,5-8,13-15,28,55H2,1-4H3