C216H128N32 — CID 159381737
5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pteridin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrazino[2,3-b]pyrazin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[4,5-d]pyrimidin-7-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-6-yl]indolo[3,2-b]carbazole (PubChem CID 159381737) has the molecular formula C216H128N32 and a molecular weight of 3171.62 g/mol. Its IUPAC name is 5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pteridin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrazino[2,3-b]pyrazin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[4,5-d]pyrimidin-7-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-6-yl]indolo[3,2-b]carbazole.
| Compound Name | 5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pteridin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrazino[2,3-b]pyrazin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[4,5-d]pyrimidin-7-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-6-yl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 159381737 |
| Molecular Formula | C216H128N32 |
| Molecular Weight | 3171.62 g/mol |
| Exact Mass | 3169.10 |
| IUPAC Name | 5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pteridin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrazino[2,3-b]pyrazin-6-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[4,5-d]pyrimidin-7-yl]indolo[3,2-b]carbazole;5-phenyl-11-[2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-6-yl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cnc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cnc3n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cnc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ncc3n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncc3cnc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3n2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ncc3n2)cc1 |
| InChI | InChI=1S/4C54H32N8/c1-3-15-34(16-4-1)59-46-26-14-10-22-40(46)50-47(59)28-27-39-36-19-7-13-25-45(36)62(51(39)50)54-56-32-33-31-55-53(57-52(33)58-54)61-44-24-12-9-21-38(44)42-29-48-41(30-49(42)61)37-20-8-11-23-43(37)60(48)35-17-5-2-6-18-35;1-3-15-33(16-4-1)59-47-26-14-10-22-39(47)51-48(59)28-27-38-35-19-7-13-25-46(35)62(52(38)51)54-56-32-42-43(58-54)31-55-53(57-42)61-45-24-12-9-21-37(45)41-29-49-40(30-50(41)61)36-20-8-11-23-44(36)60(49)34-17-5-2-6-18-34;1-3-15-33(16-4-1)59-46-26-14-10-22-39(46)51-47(59)28-27-38-35-19-7-13-25-45(35)62(52(38)51)54-56-31-42-53(58-54)55-32-50(57-42)61-44-24-12-9-21-37(44)41-29-48-40(30-49(41)61)36-20-8-11-23-43(36)60(48)34-17-5-2-6-18-34;1-3-15-33(16-4-1)59-45-26-14-10-22-39(45)51-46(59)28-27-38-35-19-7-13-25-44(35)62(52(38)51)50-32-56-53-54(58-50)55-31-49(57-53)61-43-24-12-9-21-37(43)41-29-47-40(30-48(41)61)36-20-8-11-23-42(36)60(47)34-17-5-2-6-18-34/h4*1-32H |
| InChIKey | LKZNNTOLBBQPKG-UHFFFAOYSA-N |
| XLogP | 51.23 |
| TPSA | 285.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3171.62 |
| LogP ≤ 5 | 51.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |