C319H199N37 — CID 161023175
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole (PubChem CID 161023175) has the molecular formula C319H199N37 and a molecular weight of 4550.36 g/mol. Its IUPAC name is 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole.
| Compound Name | 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 161023175 |
| Molecular Formula | C319H199N37 |
| Molecular Weight | 4550.36 g/mol |
| Exact Mass | 4546.67 |
| IUPAC Name | 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole |
| SMILES | c1cc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c34)n2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)n6)n5)c34)n2)nc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc3ccccc23)nc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc6ccccc56)n4)c23)c1.c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)n4)c23)c1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)n6)c45)n3)n2)cc1 |
| InChI | InChI=1S/C64H40N6.C62H38N8.C58H36N10.C52H32N6.C48H30N4.C35H23N3/c1-7-29-54-45(21-1)46-22-2-8-30-55(46)67(54)43-19-13-17-41(39-43)52-27-15-35-61(65-52)69-59-34-12-6-26-51(59)63-60(69)38-37-50-49-25-5-11-33-58(49)70(64(50)63)62-36-16-28-53(66-62)42-18-14-20-44(40-42)68-56-31-9-3-23-47(56)48-24-4-10-32-57(48)68;1-7-27-50-39(17-1)40-18-2-8-28-51(40)67(50)57-33-13-23-46(63-57)47-25-15-35-59(65-47)69-55-32-12-6-22-45(55)61-56(69)38-37-44-43-21-5-11-31-54(43)70(62(44)61)60-36-16-26-49(66-60)48-24-14-34-58(64-48)68-52-29-9-3-19-41(52)42-20-4-10-30-53(42)68;1-5-19-37(20-6-1)53-61-54(38-21-7-2-8-22-38)64-57(63-53)44-29-17-33-49(59-44)67-47-32-16-14-28-43(47)51-48(67)36-35-42-41-27-13-15-31-46(41)68(52(42)51)50-34-18-30-45(60-50)58-65-55(39-23-9-3-10-24-39)62-56(66-58)40-25-11-4-12-26-40;1-7-21-40-33(15-1)34-16-2-8-22-41(34)55(40)47-27-13-29-49(53-47)57-45-26-12-6-20-39(45)51-46(57)32-31-38-37-19-5-11-25-44(37)58(52(38)51)50-30-14-28-48(54-50)56-42-23-9-3-17-35(42)36-18-4-10-24-43(36)56;1-3-17-33-31(13-1)15-9-21-35(33)40-23-11-27-45(49-40)51-43-26-8-6-20-39(43)47-44(51)30-29-38-37-19-5-7-25-42(37)52(48(38)47)46-28-12-24-41(50-46)36-22-10-16-32-14-2-4-18-34(32)36;1-3-12-24(13-4-1)29-18-11-21-33(36-29)38-30-19-9-7-16-26(30)27-22-23-32-34(35(27)38)28-17-8-10-20-31(28)37(32)25-14-5-2-6-15-25/h1-40H;1-38H;1-36H;1-32H;1-30H;1-23H |
| InChIKey | TYQIUBJYESVVHA-UHFFFAOYSA-N |
| XLogP | 78.35 |
| TPSA | 333.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 356 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4550.36 |
| LogP ≤ 5 | 78.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |