C370H249N21 — CID 158622941
9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 158622941) has the molecular formula C370H249N21 and a molecular weight of 4989.21 g/mol. Its IUPAC name is 9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole.
| Compound Name | 9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 158622941 |
| Molecular Formula | C370H249N21 |
| Molecular Weight | 4989.21 g/mol |
| Exact Mass | 4985.01 |
| IUPAC Name | 9-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)cc1 |
| InChI | InChI=1S/C64H43N3.C58H39N3.3C52H35N3.2C46H31N3/c1-5-17-44(18-6-1)51-37-52(45-19-7-2-8-20-45)40-55(39-51)56-41-53(38-54(42-56)47-33-35-57(36-34-47)67-62-27-15-13-25-58(62)59-26-14-16-28-63(59)67)46-29-31-49(32-30-46)61-43-60(48-21-9-3-10-22-48)65-64(66-61)50-23-11-4-12-24-50;1-4-14-40(15-5-1)41-24-26-42(27-25-41)48-36-49(38-50(37-48)44-32-34-51(35-33-44)61-56-22-12-10-20-52(56)53-21-11-13-23-57(53)61)43-28-30-46(31-29-43)55-39-54(45-16-6-2-7-17-45)59-58(60-55)47-18-8-3-9-19-47;1-4-14-36(15-5-1)42-32-43(34-44(33-42)38-28-30-45(31-29-38)55-50-22-12-10-20-46(50)47-21-11-13-23-51(47)55)37-24-26-40(27-25-37)49-35-48(39-16-6-2-7-17-39)53-52(54-49)41-18-8-3-9-19-41;1-4-14-36(15-5-1)42-32-43(34-44(33-42)38-28-30-45(31-29-38)55-50-22-12-10-20-46(50)47-21-11-13-23-51(47)55)37-24-26-41(27-25-37)52-53-48(39-16-6-2-7-17-39)35-49(54-52)40-18-8-3-9-19-40;1-4-14-36(15-5-1)42-32-43(34-44(33-42)52-53-48(40-16-6-2-7-17-40)35-49(54-52)41-18-8-3-9-19-41)39-26-24-37(25-27-39)38-28-30-45(31-29-38)55-50-22-12-10-20-46(50)47-21-11-13-23-51(47)55;1-3-13-34(14-4-1)42-31-43(48-46(47-42)35-15-5-2-6-16-35)38-19-11-17-36(29-38)32-25-27-33(28-26-32)37-18-12-20-39(30-37)49-44-23-9-7-21-40(44)41-22-8-10-24-45(41)49;1-3-12-35(13-4-1)42-31-43(36-14-5-2-6-15-36)48-46(47-42)38-17-11-16-37(30-38)34-24-22-32(23-25-34)33-26-28-39(29-27-33)49-44-20-9-7-18-40(44)41-19-8-10-21-45(41)49/h1-43H;1-39H;3*1-35H;2*1-31H |
| InChIKey | HYFPYWRJQYALNZ-UHFFFAOYSA-N |
| XLogP | 96.70 |
| TPSA | 214.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 391 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4989.21 |
| LogP ≤ 5 | 96.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |