C144H93N15 — CID 158118330
9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole (PubChem CID 158118330) has the molecular formula C144H93N15 and a molecular weight of 2033.43 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole.
| Compound Name | 9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole |
|---|---|
| PubChem CID | 158118330 |
| Molecular Formula | C144H93N15 |
| Molecular Weight | 2033.43 g/mol |
| Exact Mass | 2031.77 |
| IUPAC Name | 9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5c6ccccc6ccc5n(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccn5)c4c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccn2)cc1.c1ccc(-c2ccc3c4c5ccccc5c(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccn4)c3c2)cc1 |
| InChI | InChI=1S/C54H35N5.C48H31N5.C42H27N5/c1-5-15-36(16-6-1)43-31-44(37-17-7-2-8-18-37)33-45(32-43)41-25-27-47-49(34-41)59(48-28-26-38-19-13-14-24-46(38)51(47)48)50-35-42(29-30-55-50)54-57-52(39-20-9-3-10-21-39)56-53(58-54)40-22-11-4-12-23-40;1-5-15-32(16-6-1)36-25-26-40-42(29-36)53(43-31-41(33-17-7-2-8-18-33)38-23-13-14-24-39(38)45(40)43)44-30-37(27-28-49-44)48-51-46(34-19-9-3-10-20-34)50-47(52-48)35-21-11-4-12-22-35;1-4-12-28(13-5-1)32-21-22-36-35(26-32)39-34-19-11-10-14-29(34)20-23-37(39)47(36)38-27-33(24-25-43-38)42-45-40(30-15-6-2-7-16-30)44-41(46-42)31-17-8-3-9-18-31/h1-35H;1-31H;1-27H |
| InChIKey | FRHKBZMVWHSAHW-UHFFFAOYSA-N |
| XLogP | 35.56 |
| TPSA | 169.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2033.43 |
| LogP ≤ 5 | 35.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |