2-{5-bromo-2-[(23-{[5-bromo-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-octyldodecyl)-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]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
Structure Info
- Chemspace ID
- CSSB21380333307 (In-Stock Building Blocks)
- IUPAC Name
- 2-{5-bromo-2-[(23-{[5-bromo-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-octyldodecyl)-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]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
- Mol formula
- C106H136Br2N8O2S5
- Mol weight
- 1874 Da
- Catalog Number(s)
- AG-B38663
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 37.89
- Heavy atoms count
- 123
- Rotatable bond count
- 58
- Number of rings
- 12
- Carbon bond saturation, Fsp3
- 0.584
- Polar surface area (Å)
- 165
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 0
![Chemical structure of 2-{5-bromo-2-[(23-{[5-bromo-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-3,27-bis(2-octyldodecyl)-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]-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile (C106H136Br2N8O2S5) - CSSB21380333307](/st/structure/200/f7f6e6e3fe8d70333a346e57d840ff7f/CCCCCCCCCCCC1%253DC%2528SC2%253DC1SC1%253DC2N%2528CC%2528CCCCCCCC%2529CCCCCCCCCC%2529C2%253DC1C1%253DNSN%253DC1C1%253DC2N%2528CC%2528CCCCCCCC%2529CCCCCCCCCC%2529C2%253DC1SC1%253DC2SC%2528C%253DC2C%2528%253DO%2529C3%253DCC%2528Br%2529%253DCC%253DC3C2%253DC%2528C%2523N%2529C%2523N%2529%253DC1CCCCCCCCCCC%2529C%253DC1C%2528%253DO%2529C2%253DCC%2528Br%2529%253DCC%253DC2C1%253DC%2528C%2523N%2529C%2523N.png "C106H136Br2N8O2S5")
- Zoom the structure
- CSSB21380333307
Items Overall 4 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Angel Pharmatech Ltd. | 10 days | China To: | 95 | 100 mg | 400.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 95 | 250 mg | 640.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 95 | 500 mg | 960.00 | |
| Angel Pharmatech Ltd. | 10 days | China To: | 95 | 1 g | 1,450.00 | |
Description: CAS: 2747095-27-6 | ||||||
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