C248H214B8F6N12Pt4 — CID 161188922
bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-[2,6-di(propan-2-yl)phenyl]-N,N-diphenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-id-7-amine);bis(5-[2,6-di(propan-2-yl)phenyl]-7-(2,4,6-trimethylphenyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);tetrakis(platinum(2+)) (PubChem CID 161188922) has the molecular formula C248H214B8F6N12Pt4 and a molecular weight of 4343.32 g/mol. Its IUPAC name is bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-[2,6-di(propan-2-yl)phenyl]-N,N-diphenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-id-7-amine);bis(5-[2,6-di(propan-2-yl)phenyl]-7-(2,4,6-trimethylphenyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);tetrakis(platinum(2+)).
| Compound Name | bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-[2,6-di(propan-2-yl)phenyl]-N,N-diphenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-id-7-amine);bis(5-[2,6-di(propan-2-yl)phenyl]-7-(2,4,6-trimethylphenyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 161188922 |
| Molecular Formula | C248H214B8F6N12Pt4 |
| Molecular Weight | 4343.32 g/mol |
| Exact Mass | 4341.64 |
| IUPAC Name | bis(7-carbazol-9-yl-5-[2,6-di(propan-2-yl)phenyl]-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-[2,6-di(propan-2-yl)phenyl]-N,N-diphenyl-9H-[1]benzoborolo[3,2-b]pyridin-9-id-7-amine);bis(5-[2,6-di(propan-2-yl)phenyl]-7-(2,4,6-trimethylphenyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);bis(5-naphthalen-1-yl-7-(trifluoromethyl)-9H-[1]benzoborolo[3,2-b]pyridin-9-ide);tetrakis(platinum(2+)) |
| SMILES | CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.CC(C)c1cccc(C(C)C)c1B1c2cc(-n3c4ccccc4c4ccccc43)c[c-]c2-c2ncccc21.CC(C)c1cccc(C(C)C)c1B1c2cc(N(c3ccccc3)c3ccccc3)c[c-]c2-c2ncccc21.CC(C)c1cccc(C(C)C)c1B1c2cc(N(c3ccccc3)c3ccccc3)c[c-]c2-c2ncccc21.Cc1cc(C)c(-c2c[c-]c3c(c2)B(c2c(C(C)C)cccc2C(C)C)c2cccnc2-3)c(C)c1.Cc1cc(C)c(-c2c[c-]c3c(c2)B(c2c(C(C)C)cccc2C(C)C)c2cccnc2-3)c(C)c1.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.FC(F)(F)c1c[c-]c2c(c1)B(c1cccc3ccccc13)c1cccnc1-2.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/2C35H30BN2.2C35H32BN2.2C32H33BN.2C22H12BF3N.4Pt/c2*1-22(2)25-13-9-14-26(23(3)4)34(25)36-30-15-10-20-37-35(30)29-19-18-24(21-31(29)36)38-32-16-7-5-11-27(32)28-12-6-8-17-33(28)38;2*1-24(2)29-17-11-18-30(25(3)4)34(29)36-32-19-12-22-37-35(32)31-21-20-28(23-33(31)36)38(26-13-7-5-8-14-26)27-15-9-6-10-16-27;2*1-19(2)25-10-8-11-26(20(3)4)31(25)33-28-12-9-15-34-32(28)27-14-13-24(18-29(27)33)30-22(6)16-21(5)17-23(30)7;2*24-22(25,26)15-10-11-17-20(13-15)23(19-9-4-12-27-21(17)19)18-8-3-6-14-5-1-2-7-16(14)18;;;;/h2*5-18,20-23H,1-4H3;2*5-20,22-25H,1-4H3;2*8-13,15-20H,1-7H3;2*1-10,12-13H;;;;/q8*-1;4*+2 |
| InChIKey | VQBVOAJGADGTHC-UHFFFAOYSA-N |
| XLogP | 47.16 |
| TPSA | 119.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 278 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4343.32 |
| LogP ≤ 5 | 47.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |