2-(2-{[3,27-bis(2-butyloctyl)-23-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-8,22-dinonyl-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-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile
Structure Info
- Chemspace ID
- CSSB14929133666 (In-Stock Building Blocks)
- IUPAC Name
- 2-(2-{[3,27-bis(2-butyloctyl)-23-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-8,22-dinonyl-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-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile
- Mol formula
- C86H94Cl4N8O2S5
- Mol weight
- 1574 Da
- Catalog Number(s)
- AA023ZAV, AG023ZDN, AR02402N, BD01400766, BJ44851, EC0241JF, OR1134353, TX0240JB
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 29.88
- Heavy atoms count
- 105
- Rotatable bond count
- 38
- Number of rings
- 12
- Carbon bond saturation, Fsp3
- 0.488
- Polar surface area (Å)
- 165
- Hydrogen bond acceptors count
- 8
- Hydrogen bond donors count
- 0
![Chemical structure of 2-(2-{[3,27-bis(2-butyloctyl)-23-{[5,6-dichloro-1-(dicyanomethylidene)-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-8,22-dinonyl-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-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile (C86H94Cl4N8O2S5) - CSSB14929133666](/st/structure/200/04c34c72747ef8879f2f822ffe30818e/CCCCCCCCCc1c%2528C%253DC2C%2528%253DO%2529c3cc%2528Cl%2529c%2528Cl%2529cc3C2%253DC%2528C%2523N%2529C%2523N%2529sc2c1sc1c2n%2528CC%2528CCCC%2529CCCCCC%2529c2c3n%2528CC%2528CCCC%2529CCCCCC%2529c4c5sc%2528C%253DC6C%2528%253DO%2529c7cc%2528Cl%2529c%2528Cl%2529cc7C6%253DC%2528C%2523N%2529C%2523N%2529c%2528CCCCCCCCC%2529c5sc4c3c3nsnc3c12.png "C86H94Cl4N8O2S5")
- Zoom the structure
- CSSB14929133666
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Accel Scientific, S.L. | 20 days | China To: | 99 | 100 mg | 1,067.00 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 250 mg | 1,520.20 | |
| Accel Scientific, S.L. | 20 days | China To: | 99 | 1 g | 3,029.40 | |
Description: BTP-eC9; CAS: 2598965-39-8 | ||||||
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