C324H224N24Si5 — CID 157351323
1,1',3,3'-tetrakis(4-methylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-naphthalen-1-ylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-phenylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetranaphthalen-2-yl-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetra(quinolin-4-yl)-2,2'-spirobi[1,3,2-benzodiazasilole] (PubChem CID 157351323) has the molecular formula C324H224N24Si5 and a molecular weight of 4593.95 g/mol. Its IUPAC name is 1,1',3,3'-tetrakis(4-methylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-naphthalen-1-ylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-phenylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetranaphthalen-2-yl-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetra(quinolin-4-yl)-2,2'-spirobi[1,3,2-benzodiazasilole].
| Compound Name | 1,1',3,3'-tetrakis(4-methylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-naphthalen-1-ylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-phenylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetranaphthalen-2-yl-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetra(quinolin-4-yl)-2,2'-spirobi[1,3,2-benzodiazasilole] |
|---|---|
| PubChem CID | 157351323 |
| Molecular Formula | C324H224N24Si5 |
| Molecular Weight | 4593.95 g/mol |
| Exact Mass | 4589.71 |
| IUPAC Name | 1,1',3,3'-tetrakis(4-methylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-naphthalen-1-ylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetrakis(4-phenylnaphthalen-1-yl)-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetranaphthalen-2-yl-2,2'-spirobi[1,3,2-benzodiazasilole];1,1',3,3'-tetra(quinolin-4-yl)-2,2'-spirobi[1,3,2-benzodiazasilole] |
| SMILES | Cc1ccc(N2c3ccccc3N(c3ccc(C)c4ccccc34)[Si]23N(c2ccc(C)c4ccccc24)c2ccccc2N3c2ccc(C)c3ccccc23)c2ccccc12.c1ccc(-c2ccc(N3c4ccccc4N(c4ccc(-c5ccccc5)c5ccccc45)[Si]34N(c3ccc(-c5ccccc5)c5ccccc35)c3ccccc3N4c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2c(c1)N(c1ccc(-c3cccc4ccccc34)c3ccccc13)[Si]1(N2c2ccc(-c3cccc4ccccc34)c3ccccc23)N(c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccccc2N1c1ccc(-c2cccc3ccccc23)c2ccccc12.c1ccc2c(c1)N(c1ccc3ccccc3c1)[Si]1(N2c2ccc3ccccc3c2)N(c2ccc3ccccc3c2)c2ccccc2N1c1ccc2ccccc2c1.c1ccc2c(c1)N(c1ccnc3ccccc13)[Si]1(N2c2ccnc3ccccc23)N(c2ccnc3ccccc23)c2ccccc2N1c1ccnc2ccccc12 |
| InChI | InChI=1S/C92H60N4Si.C76H52N4Si.C56H44N4Si.C52H36N4Si.C48H32N8Si/c1-5-33-65-61(25-1)29-21-45-69(65)77-53-57-85(81-41-13-9-37-73(77)81)93-89-49-17-18-50-90(89)94(86-58-54-78(74-38-10-14-42-82(74)86)70-46-22-30-62-26-2-6-34-66(62)70)97(93)95(87-59-55-79(75-39-11-15-43-83(75)87)71-47-23-31-63-27-3-7-35-67(63)71)91-51-19-20-52-92(91)96(97)88-60-56-80(76-40-12-16-44-84(76)88)72-48-24-32-64-28-4-8-36-68(64)72;1-5-25-53(26-6-1)57-45-49-69(65-37-17-13-33-61(57)65)77-73-41-21-22-42-74(73)78(70-50-46-58(54-27-7-2-8-28-54)62-34-14-18-38-66(62)70)81(77)79(71-51-47-59(55-29-9-3-10-30-55)63-35-15-19-39-67(63)71)75-43-23-24-44-76(75)80(81)72-52-48-60(56-31-11-4-12-32-56)64-36-16-20-40-68(64)72;1-37-29-33-49(45-21-9-5-17-41(37)45)57-53-25-13-14-26-54(53)58(50-34-30-38(2)42-18-6-10-22-46(42)50)61(57)59(51-35-31-39(3)43-19-7-11-23-47(43)51)55-27-15-16-28-56(55)60(61)52-36-32-40(4)44-20-8-12-24-48(44)52;1-5-17-41-33-45(29-25-37(41)13-1)53-49-21-9-10-22-50(49)54(46-30-26-38-14-2-6-18-42(38)34-46)57(53)55(47-31-27-39-15-3-7-19-43(39)35-47)51-23-11-12-24-52(51)56(57)48-32-28-40-16-4-8-20-44(40)36-48;1-5-17-37-33(13-1)41(25-29-49-37)53-45-21-9-10-22-46(45)54(42-26-30-50-38-18-6-2-14-34(38)42)57(53)55(43-27-31-51-39-19-7-3-15-35(39)43)47-23-11-12-24-48(47)56(57)44-28-32-52-40-20-8-4-16-36(40)44/h1-60H;1-52H;5-36H,1-4H3;1-36H;1-32H |
| InChIKey | BHOJUGYUSYHDAH-UHFFFAOYSA-N |
| XLogP | 86.84 |
| TPSA | 116.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 353 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4593.95 |
| LogP ≤ 5 | 86.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |