2-[(2Z)-2-{[8,22-bis(2-butyloctyl)-23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetraazaoctacyclo[16.9.0.0²,¹².0⁴,¹¹.0⁵,⁹.0¹³,¹⁷.0¹⁹,²⁶.0²¹,²⁵]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene}-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile
Structure Info
- Chemspace ID
- CSSB20785369878 (In-Stock Building Blocks)
- IUPAC Name
- 2-[(2Z)-2-{[8,22-bis(2-butyloctyl)-23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetraazaoctacyclo[16.9.0.0²,¹².0⁴,¹¹.0⁵,⁹.0¹³,¹⁷.0¹⁹,²⁶.0²¹,²⁵]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene}-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile
- Mol formula
- C84H90F4N8O2S5
- Mol weight
- 1480 Da
- Catalog Number(s)
- AA0248RD, Y4046443
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 26.83
- Heavy atoms count
- 103
- Rotatable bond count
- 34
- Number of rings
- 12
- Carbon bond saturation, Fsp3
- 0.476
- Polar surface area (Å)
- 165
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 0
![Chemical structure of 2-[(2Z)-2-{[8,22-bis(2-butyloctyl)-23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-6,10,15,20,24-pentathia-3,14,16,27-tetraazaoctacyclo[16.9.0.0²,¹².0⁴,¹¹.0⁵,⁹.0¹³,¹⁷.0¹⁹,²⁶.0²¹,²⁵]heptacosa-1(18),2(12),4(11),5(9),7,13,16,19(26),21(25),22-decaen-7-yl]methylidene}-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene]propanedinitrile (C84H90F4N8O2S5) - CSSB20785369878](/st/structure/200/8e8074aab2bf65520dc4fbdafb29d5aa/CCCCCCC%2528CCCC%2529CC1%253DC%2528SC2%253DC1SC1%253DC2N%2528CC%2528CC%2529CCCC%2529C2%253DC1C1%253DNSN%253DC1C1%253DC2N%2528CC%2528CC%2529CCCC%2529C2%253DC1SC1%253DC2SC%2528%255CC%253DC2%252FC%2528%253DO%2529C3%253DCC%2528F%2529%253DC%2528F%2529C%253DC3C2%253DC%2528C%2523N%2529C%2523N%2529%253DC1CC%2528CCCC%2529CCCCCC%2529%255CC%253DC1%252FC%2528%253DO%2529C2%253DCC%2528F%2529%253DC%2528F%2529C%253DC2C1%253DC%2528C%2523N%2529C%2523N.png "C84H90F4N8O2S5")
- Zoom the structure
- CSSB20785369878
Items Overall 5 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| eNovation CN | 20 days | China To: | 98 | 5 mg | 172.50 | |
| eNovation CN | 20 days | China To: | 98 | 25 mg | 304.75 | |
| eNovation CN | 20 days | China To: | 98 | 100 mg | 718.75 | |
| eNovation CN | 20 days | China To: | 98 | 250 mg | 1,121.25 | |
| eNovation CN | 20 days | China To: | 98 | 500 mg | 1,730.75 | |
Description: 2,2'-(((3,9-Bis(2-butyloctyl)-12,13-bis(2-ethylhexyl)-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methaneylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile; CAS: 2668341-40-8 | ||||||
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