2-[(2Z)-2-{[3,27-bis(2-butyloctyl)-23-{[(2Z)-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
- CSSB20465137887 (In-Stock Building Blocks)
- MFCD
- MFCD35099239
- IUPAC Name
- 2-[(2Z)-2-{[3,27-bis(2-butyloctyl)-23-{[(2Z)-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)
- A1488220, ACM2598965398, ALCM-OE-2598965398, Y4298187
- 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-[(2Z)-2-{[3,27-bis(2-butyloctyl)-23-{[(2Z)-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) - CSSB20465137887](/st/structure/200/301a5e0740ae776effbab9e24be92de7/CCCCCCCCCC1%253DC%2528SC2%253DC1SC1%253DC2N%2528CC%2528CCCC%2529CCCCCC%2529C2%253DC1C1%253DNSN%253DC1C1%253DC2N%2528CC%2528CCCC%2529CCCCCC%2529C2%253DC1SC1%253DC2SC%2528%255CC%253DC2%252FC%2528%253DO%2529C3%253DCC%2528Cl%2529%253DC%2528Cl%2529C%253DC3C2%253DC%2528C%2523N%2529C%2523N%2529%253DC1CCCCCCCCC%2529%255CC%253DC1%252FC%2528%253DO%2529C2%253DCC%2528Cl%2529%253DC%2528Cl%2529C%253DC2C1%253DC%2528C%2523N%2529C%2523N.png "C86H94Cl4N8O2S5")
- Zoom the structure
- CSSB20465137887
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| eNovation CN | 20 days | China To: | 98 | 100 mg | 966.00 | |
| eNovation CN | 20 days | China To: | 98 | 250 mg | 1,351.25 | |
| eNovation CN | 20 days | China To: | 98 | 1 g | 2,650.75 | |
Description: BTP-eC9; CAS: 2598965-39-8 | ||||||
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Similarity Analogs
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