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

Systemtic Name: 1,1-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]hexan-1-amine Openeye Name: 1,1-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]hexan-1-amine CAS Name: 1,1-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-2-fluorenyl]-1-hexanamine IUPAC Name: 1,1-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]hexan-1-amine Traditional Name: 1,1-bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]hexylamine Formula: C54H53N3S2 MolecularWeight: 808.14872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC2=C(C=C1)C3=C(C2(CC)CC)C=C(C=C3)C4=NC5=CC=CC=C5S4)(C6=CC7=C(C=C6)C8=C(C7(CC)CC)C=C(C=C8)C9=NC1=CC=CC=C1S9)N

Isomeric SMILES

CCCCCC(C1=CC2=C(C=C1)C3=C(C2(CC)CC)C=C(C=C3)C4=NC5=CC=CC=C5S4)(C6=CC7=C(C=C6)C8=C(C7(CC)CC)C=C(C=C8)C9=NC1=CC=CC=C1S9)N

InChI

InChI=1S/C54H53N3S2/c1-6-11-16-29-54(55,36-23-27-40-38-25-21-34(50-56-46-17-12-14-19-48(46)58-50)30-42(38)52(7-2,8-3)44(40)32-36)37-24-28-41-39-26-22-35(51-57-47-18-13-15-20-49(47)59-51)31-43(39)53(9-4,10-5)45(41)33-37/h12-15,17-28,30-33H,6-11,16,29,55H2,1-5H3