C144H102Ge3N12 — CID 165074209
5,5-dimethyl-2,4-diphenyl-7-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 165074209) has the molecular formula C144H102Ge3N12 and a molecular weight of 2218.31 g/mol. Its IUPAC name is 5,5-dimethyl-2,4-diphenyl-7-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine.
| Compound Name | 5,5-dimethyl-2,4-diphenyl-7-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 165074209 |
| Molecular Formula | C144H102Ge3N12 |
| Molecular Weight | 2218.31 g/mol |
| Exact Mass | 2220.60 |
| IUPAC Name | 5,5-dimethyl-2,4-diphenyl-7-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(7-phenylindolo[2,3-b]carbazol-5-yl)-[1]benzogermolo[3,2-d]pyrimidine;5,5-dimethyl-2,4-diphenyl-7-(5-phenylindolo[3,2-c]carbazol-12-yl)-[1]benzogermolo[3,2-d]pyrimidine |
| SMILES | C[Ge]1(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.C[Ge]1(C)c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.C[Ge]1(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21 |
| InChI | InChI=1S/3C48H34GeN4/c1-49(2)40-28-34(26-27-37(40)47-45(49)46(31-16-6-3-7-17-31)50-48(51-47)32-18-8-4-9-19-32)53-42-25-15-13-23-36(42)39-29-38-35-22-12-14-24-41(35)52(43(38)30-44(39)53)33-20-10-5-11-21-33;1-49(2)39-30-34(26-27-37(39)46-44(49)45(31-16-6-3-7-17-31)50-48(51-46)32-18-8-4-9-19-32)53-40-24-14-12-22-35(40)36-28-29-42-43(47(36)53)38-23-13-15-25-41(38)52(42)33-20-10-5-11-21-33;1-49(2)40-30-34(26-27-39(40)45-43(49)44(31-16-6-3-7-17-31)50-48(51-45)32-18-8-4-9-19-32)53-42-25-15-13-23-36(42)38-29-28-37-35-22-12-14-24-41(35)52(46(37)47(38)53)33-20-10-5-11-21-33/h3*3-30H,1-2H3 |
| InChIKey | UANHSKPSLMDDFB-UHFFFAOYSA-N |
| XLogP | 32.42 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2218.31 |
| LogP ≤ 5 | 32.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |