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

Systemtic Name: bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]-phenyl-methanamine Openeye Name: bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]-phenyl-methanamine CAS Name: bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-2-fluorenyl]-phenylmethanamine IUPAC Name: bis[7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]-phenylmethanamine Traditional Name: [bis[7-(1,3-benzothiazol-2-yl)-9,9-diethyl-fluoren-2-yl]-phenyl-methyl]amine Formula: C55H47N3S2 MolecularWeight: 814.11178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=C1C=C(C=C5)C(C6=CC=CC=C6)(C7=CC8=C(C=C7)C9=C(C8(CC)CC)C=C(C=C9)C1=NC2=CC=CC=C2S1)N)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C5=C1C=C(C=C5)C(C6=CC=CC=C6)(C7=CC8=C(C=C7)C9=C(C8(CC)CC)C=C(C=C9)C1=NC2=CC=CC=C2S1)N)CC

InChI

InChI=1S/C55H47N3S2/c1-5-53(6-2)43-30-34(51-57-47-18-12-14-20-49(47)59-51)22-26-39(43)41-28-24-37(32-45(41)53)55(56,36-16-10-9-11-17-36)38-25-29-42-40-27-23-35(52-58-48-19-13-15-21-50(48)60-52)31-44(40)54(7-3,8-4)46(42)33-38/h9-33H,5-8,56H2,1-4H3