C316H202N22 — CID 159261000
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole (PubChem CID 159261000) has the molecular formula C316H202N22 and a molecular weight of 4307.25 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole.
| Compound Name | 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 159261000 |
| Molecular Formula | C316H202N22 |
| Molecular Weight | 4307.25 g/mol |
| Exact Mass | 4303.65 |
| IUPAC Name | 3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C100H62N8.C76H48N6.C76H50N4.C64H42N4/c1-3-25-63(26-4-1)84-62-85(64-27-5-2-6-28-64)102-100(101-84)65-47-52-79(99(57-65)108-97-55-50-68(105-90-42-20-11-33-74(90)75-34-12-21-43-91(75)105)60-82(97)83-61-69(51-56-98(83)108)106-92-44-22-13-35-76(92)77-36-14-23-45-93(77)106)78-37-15-24-46-94(78)107-95-53-48-66(103-86-38-16-7-29-70(86)71-30-8-17-39-87(71)103)58-80(95)81-59-67(49-54-96(81)107)104-88-40-18-9-31-72(88)73-32-10-19-41-89(73)104;1-3-21-49(22-4-1)64-48-65(50-23-5-2-6-24-50)78-76(77-64)51-39-42-61(75(45-51)82-72-38-20-13-31-60(72)63-47-53(41-44-74(63)82)80-68-34-16-9-27-56(68)57-28-10-17-35-69(57)80)58-29-11-18-36-70(58)81-71-37-19-12-30-59(71)62-46-52(40-43-73(62)81)79-66-32-14-7-25-54(66)55-26-8-15-33-67(55)79;1-7-21-51(22-8-1)57-36-41-71-64(45-57)65-46-58(52-23-9-2-10-24-52)37-42-72(65)79(71)70-34-20-19-33-62(70)63-40-35-61(76-77-68(55-29-15-5-16-30-55)50-69(78-76)56-31-17-6-18-32-56)49-75(63)80-73-43-38-59(53-25-11-3-12-26-53)47-66(73)67-48-60(39-44-74(67)80)54-27-13-4-14-28-54;1-5-19-43(20-6-1)47-34-37-61-54(39-47)51-28-14-17-31-59(51)67(61)58-30-16-13-27-50(58)53-36-33-49(64-65-56(45-23-9-3-10-24-45)42-57(66-64)46-25-11-4-12-26-46)41-63(53)68-60-32-18-15-29-52(60)55-40-48(35-38-62(55)68)44-21-7-2-8-22-44/h1-62H;1-48H;1-50H;1-42H |
| InChIKey | KWMSBKIBXLYFIJ-UHFFFAOYSA-N |
| XLogP | 81.94 |
| TPSA | 172.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 338 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4307.25 |
| LogP ≤ 5 | 81.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |