C165H110Ge3N10S — CID 157050001
4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 157050001) has the molecular formula C165H110Ge3N10S and a molecular weight of 2482.66 g/mol. Its IUPAC name is 4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine.
| Compound Name | 4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 157050001 |
| Molecular Formula | C165H110Ge3N10S |
| Molecular Weight | 2482.66 g/mol |
| Exact Mass | 2484.63 |
| IUPAC Name | 4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine;5-[4-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;2,5,5-triphenyl-4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzogermolo[3,2-d]pyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc3c2[Ge](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)c3c(n2)-c2ccccc2[Ge]3(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C58H38GeN4.C55H39GeN3.C52H33GeN3S/c1-5-19-40(20-6-1)58-60-55(54-56(61-58)47-28-13-16-30-49(47)59(54,41-21-7-2-8-22-41)42-23-9-3-10-24-42)39-33-35-44(36-34-39)62-51-32-18-15-29-48(51)53-52(62)38-37-46-45-27-14-17-31-50(45)63(57(46)53)43-25-11-4-12-26-43;1-55(2)45-27-15-12-24-41(45)42-34-35-48-49(50(42)55)44-26-14-17-29-47(44)59(48)40-32-30-36(31-33-40)52-51-53(58-54(57-52)37-18-6-3-7-19-37)43-25-13-16-28-46(43)56(51,38-20-8-4-9-21-38)39-22-10-5-11-23-39;1-4-16-35(17-5-1)52-54-49(48-50(55-52)41-23-10-13-25-43(41)53(48,36-18-6-2-7-19-36)37-20-8-3-9-21-37)34-28-30-38(31-29-34)56-44-26-14-11-24-42(44)47-45(56)33-32-40-39-22-12-15-27-46(39)57-51(40)47/h1-38H;3-35H,1-2H3;1-33H |
| InChIKey | AABVMNCJJFTBJV-UHFFFAOYSA-N |
| XLogP | 32.57 |
| TPSA | 97.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2482.66 |
| LogP ≤ 5 | 32.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |