2-[(2Z)-2-[(23-{[(2Z)-1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(undecan-5-yl)-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
- CSSB14855344566 (In-Stock Building Blocks)
- MFCD
- MFCD08272339, MFCD34563773
- 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(undecan-5-yl)-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
- C88H98F4N8O2S5
- Mol weight
- 1536 Da
- Catalog Number(s)
- AA021ZYE, ACM2389125237, AG022016, ALCM-OE-2389125237, CS-0614701, F84718, F988805, X211813, Y4169924
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 29.18
- Heavy atoms count
- 107
- Rotatable bond count
- 40
- Number of rings
- 12
- Carbon bond saturation, Fsp3
- 0.5
- 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(undecan-5-yl)-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 (C88H98F4N8O2S5) - CSSB14855344566](/st/structure/200/935c6b38979474fcc29282cf029aacc1/CCCCCCCCCCCc1c%2528%255CC%253DC2%252FC%2528%253DO%2529c3cc%2528F%2529c%2528F%2529cc3C2%253DC%2528C%2523N%2529C%2523N%2529sc2c1sc1c2n%2528C%2528CCCC%2529CCCCCC%2529c2c3n%2528C%2528CCCC%2529CCCCCC%2529c4c5sc%2528%255CC%253DC6%252FC%2528%253DO%2529c7cc%2528F%2529c%2528F%2529cc7C6%253DC%2528C%2523N%2529C%2523N%2529c%2528CCCCCCCCCCC%2529c5sc4c3c3nsnc3c12.png "C88H98F4N8O2S5")
- Zoom the structure
- CSSB14855344566
Items Overall 3 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| eNovation CN | 20 days | China To: | 98 | 100 mg | 293.25 | |
Description: Y6-BO-4F; CAS: 2389125-23-7 | ||||||
| Advanced ChemBlocks CN | 40 days | China To: | 98 | 250 mg | 750.00 | |
| Advanced ChemBlocks CN | 40 days | China To: | 98 | 1 g | 1,800.00 | |
Description: Y6-BO-4F; CAS: 2389125-23-7 | ||||||
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