C165H110Ge3N10O — CID 157290046
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine (PubChem CID 157290046) has the molecular formula C165H110Ge3N10O and a molecular weight of 2466.59 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine.
| Compound Name | 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine |
|---|---|
| PubChem CID | 157290046 |
| Molecular Formula | C165H110Ge3N10O |
| Molecular Weight | 2466.59 g/mol |
| Exact Mass | 2468.65 |
| IUPAC Name | 2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidine;11-[3-(4,9,9-triphenyl-[1]benzogermolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;4,9,9-triphenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzogermolo[2,3-d]pyrimidine |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)c3c(n2)[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)nc3c2-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C58H38GeN4.C55H39GeN3.C52H33GeN3O/c1-5-19-39(20-6-1)56-55-47-29-13-16-30-50(47)59(41-21-7-2-8-22-41,42-23-9-3-10-24-42)57(55)61-58(60-56)40-33-35-44(36-34-40)63-52-32-18-15-28-46(52)49-37-53-48(38-54(49)63)45-27-14-17-31-51(45)62(53)43-25-11-4-12-26-43;1-55(2)46-27-15-12-24-41(46)44-35-50-45(34-47(44)55)42-25-14-17-29-49(42)59(50)40-32-30-37(31-33-40)54-57-52(36-18-6-3-7-19-36)51-43-26-13-16-28-48(43)56(53(51)58-54,38-20-8-4-9-21-38)39-22-10-5-11-23-39;1-4-17-34(18-5-1)50-49-41-27-10-13-28-44(41)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)51(49)55-52(54-50)35-19-16-24-38(31-35)56-45-29-14-11-25-39(45)42-33-48-43(32-46(42)56)40-26-12-15-30-47(40)57-48/h1-38H;3-35H,1-2H3;1-33H |
| InChIKey | BARQBQMUSNMLST-UHFFFAOYSA-N |
| XLogP | 32.10 |
| TPSA | 110.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2466.59 |
| LogP ≤ 5 | 32.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |