C197H123N13O3S — CID 157389603
8-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;5-[3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[3-(3-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]phenyl]pyrido[3,2-b]indole (PubChem CID 157389603) has the molecular formula C197H123N13O3S and a molecular weight of 2752.31 g/mol. Its IUPAC name is 8-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;5-[3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[3-(3-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]phenyl]pyrido[3,2-b]indole.
| Compound Name | 8-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;5-[3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[3-(3-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]phenyl]pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 157389603 |
| Molecular Formula | C197H123N13O3S |
| Molecular Weight | 2752.31 g/mol |
| Exact Mass | 2749.96 |
| IUPAC Name | 8-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;5-[3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole;5-[3-[3-[3-(3-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]phenyl]pyrido[3,2-b]indole |
| SMILES | c1cc(-c2cccc(-c3ccc4oc5ccncc5c4c3)c2)cc(-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)c1.c1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ncccc54)c3)c2)cc(-c2cccc(-n3c4ccccc4c4ncccc43)c2)c1.c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cc4c3c2)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6sc7ccc(-c8cccc(-c9cccc(-n%10c%11ccccc%11c%11ncccc%11%10)c9)c8)cc7c6c5)c4)ccc32)cc1 |
| InChI | InChI=1S/C59H37N3S.C52H32N4O.C46H30N4.C40H24N2O2/c1-2-17-46(18-3-1)61-53-22-6-4-20-48(53)50-35-43(25-28-55(50)61)39-13-9-15-41(33-39)45-27-30-58-52(37-45)51-36-44(26-29-57(51)63-58)40-14-8-12-38(32-40)42-16-10-19-47(34-42)62-54-23-7-5-21-49(54)59-56(62)24-11-31-60-59;1-3-18-45-41(16-1)51-47(20-8-26-53-51)55(45)39-14-6-12-35(29-39)33-10-5-11-34(28-33)37-22-24-49-43(31-37)44-32-38(23-25-50(44)57-49)36-13-7-15-40(30-36)56-46-19-4-2-17-42(46)52-48(56)21-9-27-54-52;1-3-21-41-39(19-1)45-43(23-9-25-47-45)49(41)37-17-7-15-35(29-37)33-13-5-11-31(27-33)32-12-6-14-34(28-32)36-16-8-18-38(30-36)50-42-22-4-2-20-40(42)46-44(50)24-10-26-48-46;1-5-25(27-7-2-9-29(20-27)31-12-14-36-33(22-31)35-24-41-18-16-38(35)43-36)19-26(6-1)28-8-3-10-30(21-28)32-13-15-37-34(23-32)40-39(44-37)11-4-17-42-40/h1-37H;1-32H;1-30H;1-24H |
| InChIKey | BLVNZBDRNRXXID-UHFFFAOYSA-N |
| XLogP | 52.50 |
| TPSA | 159.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2752.31 |
| LogP ≤ 5 | 52.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |