C206H138N10Si2 — CID 159693921
6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-2-carbonitrile;6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-3-carbonitrile;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-3-yl]silane (PubChem CID 159693921) has the molecular formula C206H138N10Si2 and a molecular weight of 2809.61 g/mol. Its IUPAC name is 6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-2-carbonitrile;6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-3-carbonitrile;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-3-yl]silane.
| Compound Name | 6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-2-carbonitrile;6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-3-carbonitrile;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-3-yl]silane |
|---|---|
| PubChem CID | 159693921 |
| Molecular Formula | C206H138N10Si2 |
| Molecular Weight | 2809.61 g/mol |
| Exact Mass | 2807.06 |
| IUPAC Name | 6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-2-carbonitrile;6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole-3-carbonitrile;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-3-yl]silane |
| SMILES | N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1cccc(-c2ccccc2)c1.N#Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3cccc(-c4ccccc4)c3)c2c1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc43)c2)cc1 |
| InChI | InChI=1S/2C60H42N2Si.2C43H27N3/c1-6-19-43(20-7-1)44-21-18-24-48(39-44)62-59-38-34-46(45-33-37-58-55(40-45)53-31-16-17-32-57(53)61(58)47-22-8-2-9-23-47)41-56(59)54-36-35-52(42-60(54)62)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51;1-6-19-43(20-7-1)44-21-18-24-48(39-44)62-59-37-34-46(45-33-36-58-54(40-45)53-31-16-17-32-57(53)61(58)47-22-8-2-9-23-47)41-55(59)56-42-52(35-38-60(56)62)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51;44-28-29-18-21-41-37(24-29)39-27-33(20-23-43(39)46(41)35-15-9-12-31(25-35)30-10-3-1-4-11-30)32-19-22-42-38(26-32)36-16-7-8-17-40(36)45(42)34-13-5-2-6-14-34;44-28-29-18-21-37-39-27-33(20-23-42(39)46(43(37)24-29)35-15-9-12-31(25-35)30-10-3-1-4-11-30)32-19-22-41-38(26-32)36-16-7-8-17-40(36)45(41)34-13-5-2-6-14-34/h2*1-42H;2*1-27H |
| InChIKey | MWTJEELWSJVJOX-UHFFFAOYSA-N |
| XLogP | 47.36 |
| TPSA | 87.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 218 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2809.61 |
| LogP ≤ 5 | 47.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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