Products 2127354-15-6

CAS 2127354-15-6 appears in our catalog under these names: Poly((9,9-dioctylfluorenyl-2,7-diyl)-alt-(6,6'-{2,2'-bipyridine})), 2,2'-[[4,4,9,9-Tetrakis(4-hexylphenyl)-4,9-dihydrothieno[3',2':4,5]cyclopenta[1,2-b]thieno[2'',3'':3',4']cyclopenta[1',2':4,5]thieno[2,3-d]thiophene-2,7-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile], 98%, 98%. Offered by: Lumtec, Chemat. Available pack sizes: On request, 100mg, 200mg.

Structural formula: {0} (CAS {1})

2-[(2E)-2-[[16-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (CAS 2127354-15-6) is a chemical compound with the molecular formula C90H80N4O2S4 and a molecular weight of 1377.9 g/mol. IUPAC name: 2-[(2E)-2-[[16-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile. InChIKey: NPHISPRTXGOURB-KQSQOKRMSA-N.

Identity
Molecular formulaC90H80N4O2S4
Molecular weight1377.9 g/mol
IUPAC name2-[(2E)-2-[[16-[(E)-[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]methyl]-3,3,13,13-tetrakis(4-hexylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
InChIKeyNPHISPRTXGOURB-KQSQOKRMSA-N
SMILESCCCCCCC1=CC=C(C=C1)C2(C3=C(SC4=C3SC5=C4C(C6=C5SC(=C6)/C=C\7/C(=O)C8=CC=CC=C8C7=C(C#N)C#N)(C9=CC=C(C=C9)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=C2C=C(S1)/C=C\1/C(=O)C2=CC=CC=C2C1=C(C#N)C#N)C1=CC=C(C=C1)CCCCCC

Computed by PubChem (NCBI)