C301H201N19O2S2Si4 — CID 160532428
bis[3-(2-dibenzothiophen-4-yl-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl)phenyl]-diphenylsilane;bis[3-[2-(9,9-dimethylxanthen-4-yl)-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl]phenyl]-diphenylsilane;triphenyl-[3-(7-phenyl-9-pyridin-2-yl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane;triphenyl-[3-(7-phenyl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane (PubChem CID 160532428) has the molecular formula C301H201N19O2S2Si4 and a molecular weight of 4292.53 g/mol. Its IUPAC name is bis[3-(2-dibenzothiophen-4-yl-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl)phenyl]-diphenylsilane;bis[3-[2-(9,9-dimethylxanthen-4-yl)-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl]phenyl]-diphenylsilane;triphenyl-[3-(7-phenyl-9-pyridin-2-yl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane;triphenyl-[3-(7-phenyl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane.
| Compound Name | bis[3-(2-dibenzothiophen-4-yl-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl)phenyl]-diphenylsilane;bis[3-[2-(9,9-dimethylxanthen-4-yl)-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl]phenyl]-diphenylsilane;triphenyl-[3-(7-phenyl-9-pyridin-2-yl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane;triphenyl-[3-(7-phenyl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane |
|---|---|
| PubChem CID | 160532428 |
| Molecular Formula | C301H201N19O2S2Si4 |
| Molecular Weight | 4292.53 g/mol |
| Exact Mass | 4288.47 |
| IUPAC Name | bis[3-(2-dibenzothiophen-4-yl-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl)phenyl]-diphenylsilane;bis[3-[2-(9,9-dimethylxanthen-4-yl)-7-phenyl-9-pyridin-2-yl-1,10-phenanthrolin-4-yl]phenyl]-diphenylsilane;triphenyl-[3-(7-phenyl-9-pyridin-2-yl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane;triphenyl-[3-(7-phenyl-2-quinolin-8-yl-1,10-phenanthrolin-4-yl)phenyl]silane |
| SMILES | CC1(C)c2ccccc2Oc2c(-c3cc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc(-c6cc(-c7cccc8c7Oc7ccccc7C8(C)C)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccn8)nc67)c5)c4)c4ccc5c(-c6ccccc6)cc(-c6ccccn6)nc5c4n3)cccc21.c1ccc(-c2cc(-c3ccccn3)nc3c2ccc2c(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc(-c6cc(-c7cccc8c7sc7ccccc78)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccn8)nc67)c5)c4)cc(-c4cccc5c4sc4ccccc45)nc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3c2ccc2c(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc(-c4cccc5cccnc45)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)cc(-c4cccc5cccnc45)nc23)cc1 |
| InChI | InChI=1S/C100H70N6O2Si.C94H58N6S2Si.C56H38N4Si.C51H35N3Si/c1-99(2)81-43-17-19-49-91(81)107-97-75(41-27-45-83(97)99)87-59-79(73-53-51-71-77(63-29-9-5-10-30-63)61-89(85-47-21-23-55-101-85)105-95(71)93(73)103-87)65-33-25-39-69(57-65)109(67-35-13-7-14-36-67,68-37-15-8-16-38-68)70-40-26-34-66(58-70)80-60-88(76-42-28-46-84-98(76)108-92-50-20-18-44-82(92)100(84,3)4)104-94-74(80)54-52-72-78(64-31-11-6-12-32-64)62-90(106-96(72)94)86-48-22-24-56-102-86;1-5-25-59(26-6-1)77-57-85(81-43-17-19-51-95-81)99-91-69(77)47-49-71-79(55-83(97-89(71)91)75-41-23-39-73-67-37-13-15-45-87(67)101-93(73)75)61-29-21-35-65(53-61)103(63-31-9-3-10-32-63,64-33-11-4-12-34-64)66-36-22-30-62(54-66)80-56-84(76-42-24-40-74-68-38-14-16-46-88(68)102-94(74)76)98-90-72(80)50-48-70-78(60-27-7-2-8-28-60)58-86(100-92(70)90)82-44-18-20-52-96-82;1-5-18-39(19-6-1)49-38-53(51-31-13-14-34-57-51)60-56-46(49)32-33-47-50(37-52(59-55(47)56)48-30-16-20-40-22-17-35-58-54(40)48)41-21-15-29-45(36-41)61(42-23-7-2-8-24-42,43-25-9-3-10-26-43)44-27-11-4-12-28-44;1-5-16-36(17-6-1)43-31-33-53-50-44(43)29-30-45-47(35-48(54-51(45)50)46-28-14-18-37-20-15-32-52-49(37)46)38-19-13-27-42(34-38)55(39-21-7-2-8-22-39,40-23-9-3-10-24-40)41-25-11-4-12-26-41/h5-62H,1-4H3;1-58H;1-38H;1-35H |
| InChIKey | QVSJXTNALZSLKA-UHFFFAOYSA-N |
| XLogP | 64.85 |
| TPSA | 263.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4292.53 |
| LogP ≤ 5 | 64.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |