C276H174N8O11SSi4 — CID 158029850
10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine (PubChem CID 158029850) has the molecular formula C276H174N8O11SSi4 and a molecular weight of 3922.88 g/mol. Its IUPAC name is 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine.
| Compound Name | 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine |
|---|---|
| PubChem CID | 158029850 |
| Molecular Formula | C276H174N8O11SSi4 |
| Molecular Weight | 3922.88 g/mol |
| Exact Mass | 3919.21 |
| IUPAC Name | 10,10-di(dibenzofuran-3-yl)-N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;10,10-di(dibenzofuran-3-yl)-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-N-(4-naphthalen-1-ylphenyl)-5-phenylbenzo[b][1,4]benzazasilin-3-amine;N,10,10-tri(dibenzofuran-3-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)N(c3ccccc3)c3ccccc3[Si]4(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4oc4ccccc45)cc32)cc1.c1ccc(N2c3ccccc3[Si](c3ccc4c(c3)oc3ccccc34)(c3ccc4c(c3)oc3ccccc34)c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)cc32)cc1 |
| InChI | InChI=1S/2C70H44N2O3Si.C70H44N2O2SSi.C66H42N2O3Si/c1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-57-54-21-6-10-28-63(54)73-66(57)43-50,51-38-40-58-55-22-7-11-29-64(55)74-67(58)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-56-23-8-12-30-65(56)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-2-17-47(18-3-1)72-61-24-9-13-28-69(61)76(51-35-38-59-56-21-7-11-26-64(56)74-67(59)43-51,52-36-39-60-57-22-8-12-27-65(57)75-68(60)44-52)70-40-34-49(41-62(70)72)71(50-33-37-58-55-20-6-10-25-63(55)73-66(58)42-50)48-31-29-46(30-32-48)54-23-14-16-45-15-4-5-19-53(45)54;1-2-18-47(19-3-1)72-60-26-9-13-31-68(60)76(50-37-39-56-54-21-6-10-28-63(54)73-65(56)43-50,51-38-40-57-55-22-7-11-29-64(55)74-66(57)44-51)69-41-36-49(42-62(69)72)71(61-27-15-25-59-58-23-8-12-30-67(58)75-70(59)61)48-34-32-46(33-35-48)53-24-14-17-45-16-4-5-20-52(45)53;1-3-15-43(16-4-1)44-27-29-46(30-28-44)67(48-31-35-54-51-19-7-11-23-59(51)69-62(54)40-48)47-32-38-66-58(39-47)68(45-17-5-2-6-18-45)57-22-10-14-26-65(57)72(66,49-33-36-55-52-20-8-12-24-60(52)70-63(55)41-49)50-34-37-56-53-21-9-13-25-61(53)71-64(56)42-50/h3*1-44H;1-42H |
| InChIKey | FHAYHBQUIAMYSA-UHFFFAOYSA-N |
| XLogP | 66.66 |
| TPSA | 170.46 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 300 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3922.88 |
| LogP ≤ 5 | 66.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |