C242H167N13Si — CID 158389469
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-yl-2-phenylcyclohexa-2,4-dien-1-yl)-3-phenylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane (PubChem CID 158389469) has the molecular formula C242H167N13Si and a molecular weight of 3285.17 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-yl-2-phenylcyclohexa-2,4-dien-1-yl)-3-phenylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane.
| Compound Name | 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-yl-2-phenylcyclohexa-2,4-dien-1-yl)-3-phenylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 158389469 |
| Molecular Formula | C242H167N13Si |
| Molecular Weight | 3285.17 g/mol |
| Exact Mass | 3282.32 |
| IUPAC Name | 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-yl-2-phenylcyclohexa-2,4-dien-1-yl)-3-phenylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane |
| SMILES | C1=C(c2ccccc2)C(c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccccc2)CC=C1n1c2ccccc2c2ccccc21.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C48H34N2Si.C48H34N2.C42H27N3.C38H28N2.C36H24N2.C30H20N2/c1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-33-35(49-45-28-14-10-24-41(45)42-25-11-15-29-46(42)49)32-36(34-40)50-47-30-16-12-26-43(47)44-27-13-17-31-48(44)50;1-3-15-33(16-4-1)43-31-35(49-45-23-11-7-19-39(45)40-20-8-12-24-46(40)49)27-29-37(43)38-30-28-36(32-44(38)34-17-5-2-6-18-34)50-47-25-13-9-21-41(47)42-22-10-14-26-48(42)50;1-7-19-37-31(13-1)32-14-2-8-20-38(32)43(37)28-25-29(44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-30(26-28)45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45;1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h1-34H;1-29,31-32,38H,30H2;1-27H;3-24H,1-2H3;1-24H;1-20H |
| InChIKey | GWTSNNYJLPGZRE-UHFFFAOYSA-N |
| XLogP | 60.50 |
| TPSA | 64.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3285.17 |
| LogP ≤ 5 | 60.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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