C228H148N16 — CID 159734336
5-naphthalen-1-yl-7-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole;5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 159734336) has the molecular formula C228H148N16 and a molecular weight of 3111.80 g/mol. Its IUPAC name is 5-naphthalen-1-yl-7-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole;5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole.
| Compound Name | 5-naphthalen-1-yl-7-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole;5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 159734336 |
| Molecular Formula | C228H148N16 |
| Molecular Weight | 3111.80 g/mol |
| Exact Mass | 3109.21 |
| IUPAC Name | 5-naphthalen-1-yl-7-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole;5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc8ccccc78)c6cc54)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7cc65)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7cc65)c4)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc9ccccc89)n7)c6)c5cc43)cc2)cc1 |
| InChI | InChI=1S/2C58H38N4.C57H37N3.C55H35N5/c1-4-16-39(17-5-1)41-30-32-42(33-31-41)52-37-53(60-58(59-52)43-20-8-3-9-21-43)45-23-15-25-47(35-45)62-55-29-13-11-27-49(55)51-36-50-48-26-10-12-28-54(48)61(56(50)38-57(51)62)46-24-14-22-44(34-46)40-18-6-2-7-19-40;1-4-16-39(17-5-1)41-30-32-43(33-31-41)53-37-52(42-20-8-3-9-21-42)59-58(60-53)45-23-15-25-47(35-45)62-55-29-13-11-27-49(55)51-36-50-48-26-10-12-28-54(48)61(56(50)38-57(51)62)46-24-14-22-44(34-46)40-18-6-2-7-19-40;1-3-17-38(18-4-1)44-25-9-10-26-45(44)42-34-51(40-20-5-2-6-21-40)58-52(35-42)41-23-15-24-43(33-41)59-54-30-13-11-28-47(54)49-36-50-48-29-12-14-31-55(48)60(57(50)37-56(49)59)53-32-16-22-39-19-7-8-27-46(39)53;1-3-15-36(16-4-1)37-29-31-41(32-30-37)59-49-27-11-9-24-44(49)47-34-48-45-25-10-12-28-50(45)60(52(48)35-51(47)59)42-22-13-21-40(33-42)54-56-53(39-18-5-2-6-19-39)57-55(58-54)46-26-14-20-38-17-7-8-23-43(38)46/h2*1-38H;1-37H;1-35H |
| InChIKey | NBQKZUZPNFMIRS-UHFFFAOYSA-N |
| XLogP | 59.00 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3111.80 |
| LogP ≤ 5 | 59.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |