C135H86N12 — CID 158424691
12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole (PubChem CID 158424691) has the molecular formula C135H86N12 and a molecular weight of 1876.26 g/mol. Its IUPAC name is 12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole.
| Compound Name | 12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158424691 |
| Molecular Formula | C135H86N12 |
| Molecular Weight | 1876.26 g/mol |
| Exact Mass | 1874.71 |
| IUPAC Name | 12-(4-phenylphenyl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;12-phenyl-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3c3cccnc32)cc1 |
| InChI | InChI=1S/2C47H30N4.C41H26N4/c1-3-12-31(13-4-1)32-21-23-34(24-22-32)51-40-18-9-7-16-36(40)37-26-28-43-45(47(37)51)38-17-8-10-19-41(38)50(43)35-25-27-42-39(30-35)46-44(20-11-29-48-46)49(42)33-14-5-2-6-15-33;1-3-11-31(12-4-1)32-19-21-34(22-20-32)51-41-17-9-7-15-36(41)37-24-26-45-46(47(37)51)38-16-8-10-18-42(38)50(45)35-23-25-43-39(29-35)40-30-48-28-27-44(40)49(43)33-13-5-2-6-14-33;1-3-12-27(13-4-1)44-35-19-9-7-16-30(35)31-22-24-38-39(40(31)44)33-17-8-10-20-36(33)43(38)29-21-23-37-34(26-29)32-18-11-25-42-41(32)45(37)28-14-5-2-6-15-28/h2*1-30H;1-26H |
| InChIKey | HAXHLYUZCHIWRM-UHFFFAOYSA-N |
| XLogP | 34.45 |
| TPSA | 83.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1876.26 |
| LogP ≤ 5 | 34.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |