C231H161N9SSi3 — CID 161156444
N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine (PubChem CID 161156444) has the molecular formula C231H161N9SSi3 and a molecular weight of 3179.22 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine.
| Compound Name | N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 161156444 |
| Molecular Formula | C231H161N9SSi3 |
| Molecular Weight | 3179.22 g/mol |
| Exact Mass | 3176.19 |
| IUPAC Name | N-phenanthren-2-yl-N-[4-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]dibenzothiophen-2-amine;4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]phenyl]aniline;N,9,9-triphenyl-N-[3-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-10-yl)phenyl]fluoren-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5c5c(n6-c6ccccc6)N(c6ccccc6)c6ccccc6[Si]5(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3c3c(n4-c4ccccc4)N(c4ccccc4)c4ccccc4[Si]3(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3c2n(-c2ccccc2)c2cccc(-c4cccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7sc8ccccc8c7c6)cc5)c4)c32)cc1 |
| InChI | InChI=1S/C80H57N3Si.C76H51N3SSi.C75H53N3Si/c1-7-24-58(25-8-1)60-46-52-67(53-47-60)81(69-56-50-63(51-57-69)73-37-20-19-36-72(73)62-26-9-2-10-27-62)68-54-48-61(49-55-68)59-42-44-64(45-43-59)74-38-23-40-76-78(74)79-80(83(76)66-30-13-4-14-31-66)82(65-28-11-3-12-29-65)75-39-21-22-41-77(75)84(79,70-32-15-5-16-33-70)71-34-17-6-18-35-71;1-5-24-57(25-6-1)78-69-35-16-18-38-73(69)81(62-28-9-3-10-29-62,63-30-11-4-12-31-63)75-74-66(34-20-36-70(74)79(76(75)78)58-26-7-2-8-27-58)55-23-19-22-54(49-55)52-41-43-59(44-42-52)77(61-46-48-72-68(51-61)67-33-15-17-37-71(67)80-72)60-45-47-65-56(50-60)40-39-53-21-13-14-32-64(53)65;1-8-29-55(30-9-1)75(56-31-10-2-11-32-56)67-46-23-22-44-65(67)66-51-50-61(53-68(66)75)76(57-33-12-3-13-34-57)60-39-26-28-54(52-60)64-45-27-48-70-72(64)73-74(78(70)59-37-16-5-17-38-59)77(58-35-14-4-15-36-58)69-47-24-25-49-71(69)79(73,62-40-18-6-19-41-62)63-42-20-7-21-43-63/h1-57H;1-51H;1-53H |
| InChIKey | UPIXBUBQWWJFKH-UHFFFAOYSA-N |
| XLogP | 53.16 |
| TPSA | 34.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3179.22 |
| LogP ≤ 5 | 53.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|