2-[(2Z)-2-[(23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-8,22-diundecyl-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
- CSSB06430525416 (In-Stock Building Blocks)
- MFCD
- MFCD33029273
- IUPAC Name
- 2-[(2Z)-2-[(23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-8,22-diundecyl-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
- C82H86F4N8O2S5
- Mol weight
- 1452 Da
- Catalog Number(s)
- A1281350, AA01XC2F, BG34803, BS-46172, CS-0137561, F75380, HY-137294
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 26.25
- Heavy atoms count
- 101
- Rotatable bond count
- 34
- Number of rings
- 12
- Carbon bond saturation, Fsp3
- 0.463
- Polar surface area (Å)
- 165
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 0
![Chemical structure of 2-[(2Z)-2-[(23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-ethylhexyl)-8,22-diundecyl-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 (C82H86F4N8O2S5) - CSSB06430525416](/st/structure/200/683dc191fefd6ed1e21514b4033031e3/CCCCCCCCCCCc1c%2528%255CC%253DC2%252FC%2528%253DO%2529c3cc%2528F%2529c%2528F%2529cc3C2%253DC%2528C%2523N%2529C%2523N%2529sc2c1sc1c2n%2528CC%2528CC%2529CCCC%2529c2c3n%2528CC%2528CC%2529CCCC%2529c4c5sc%2528%255CC%253DC6%252FC%2528%253DO%2529c7cc%2528F%2529c%2528F%2529cc7C6%253DC%2528C%2523N%2529C%2523N%2529c%2528CCCCCCCCCCC%2529c5sc4c3c3nsnc3c12.png "C82H86F4N8O2S5")
- Zoom the structure
- CSSB06430525416
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 97 | 50 mg | 691.90 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 97 | 100 mg | 1,062.60 |
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Similarity Analogs
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