C124H80N12 — CID 158468921
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole (PubChem CID 158468921) has the molecular formula C124H80N12 and a molecular weight of 1738.09 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole.
| Compound Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 158468921 |
| Molecular Formula | C124H80N12 |
| Molecular Weight | 1738.09 g/mol |
| Exact Mass | 1736.66 |
| IUPAC Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5c5ncccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-n2c3cccnc3c3c(-c4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cccc32)cc1 |
| InChI | InChI=1S/C44H28N6.C41H27N3.C39H25N3/c1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)50-36-22-11-10-20-34(36)35-26-25-31(28-39(35)50)33-21-12-23-37-40(33)41-38(24-13-27-45-41)49(37)32-18-8-3-9-19-32;1-3-11-28(12-4-1)29-20-23-32(24-21-29)43-36-17-8-7-15-34(36)35-25-22-30(27-39(35)43)33-16-9-18-37-40(33)41-38(19-10-26-42-41)44(37)31-13-5-2-6-14-31;1-2-12-29(13-3-1)41-35-17-8-15-31(38(35)39-36(41)18-9-23-40-39)28-20-22-33-32-14-6-7-16-34(32)42(37(33)25-28)30-21-19-26-10-4-5-11-27(26)24-30/h1-28H;1-27H;1-25H |
| InChIKey | HGCJCQPBEQUSSL-UHFFFAOYSA-N |
| XLogP | 31.17 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 136 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1738.09 |
| LogP ≤ 5 | 31.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |