C176H112N16 — CID 159693761
7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole (PubChem CID 159693761) has the molecular formula C176H112N16 and a molecular weight of 2450.94 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole.
| Compound Name | 7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 159693761 |
| Molecular Formula | C176H112N16 |
| Molecular Weight | 2450.94 g/mol |
| Exact Mass | 2448.93 |
| IUPAC Name | 7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)c5cc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccncc76)cc5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccncc87)c6)c5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccncc76)c5)c4cc32)cc1 |
| InChI | InChI=1S/2C47H30N4.2C41H26N4/c1-3-12-31(13-4-1)32-21-23-34(24-22-32)49-42-19-9-7-16-36(42)40-29-41-37-17-8-10-20-43(37)50(46(41)30-45(40)49)35-25-26-44-39(28-35)38-18-11-27-48-47(38)51(44)33-14-5-2-6-15-33;1-2-14-33(15-3-1)49-43-22-8-5-19-37(43)40-28-41-38-20-6-9-23-44(38)50(46(41)29-45(40)49)34-16-10-12-31(26-34)32-13-11-17-35(27-32)51-42-21-7-4-18-36(42)39-24-25-48-30-47(39)51;1-2-11-27(12-3-1)43-37-19-8-5-16-31(37)34-24-35-32-17-6-9-20-38(32)44(40(35)25-39(34)43)28-13-10-14-29(23-28)45-36-18-7-4-15-30(36)33-21-22-42-26-41(33)45;1-2-10-27(11-3-1)43-37-16-8-5-13-31(37)34-24-35-32-14-6-9-17-38(32)44(40(35)25-39(34)43)28-18-20-29(21-19-28)45-36-15-7-4-12-30(36)33-22-23-42-26-41(33)45/h2*1-30H;2*1-26H |
| InChIKey | MWSVLCRIIFNYBJ-UHFFFAOYSA-N |
| XLogP | 44.83 |
| TPSA | 110.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2450.94 |
| LogP ≤ 5 | 44.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |