C236H168N4 — CID 158218287
N-[3-[7-[bis(9,9-diphenylfluoren-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158218287) has the molecular formula C236H168N4 and a molecular weight of 3059.97 g/mol. Its IUPAC name is N-[3-[7-[bis(9,9-diphenylfluoren-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[3-[7-[bis(9,9-diphenylfluoren-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 158218287 |
| Molecular Formula | C236H168N4 |
| Molecular Weight | 3059.97 g/mol |
| Exact Mass | 3057.33 |
| IUPAC Name | N-[3-[7-[bis(9,9-diphenylfluoren-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)CC(C)(c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21.CC1(C)CC(C)(c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cccc21 |
| InChI | InChI=1S/C118H82N2.C118H86N2/c1-113(2)75-114(3,80-42-32-43-81(70-80)119(82-62-66-94-90-48-16-24-52-98(90)115(107(94)71-82,76-34-8-4-9-35-76)77-36-10-5-11-37-77)83-63-67-96-92-50-22-30-58-104(92)117(109(96)72-83)100-54-26-18-44-86(100)87-45-19-27-55-101(87)117)112-106(113)60-33-61-111(112)120(84-64-68-95-91-49-17-25-53-99(91)116(108(95)73-84,78-38-12-6-13-39-78)79-40-14-7-15-41-79)85-65-69-97-93-51-23-31-59-105(93)118(110(97)74-85)102-56-28-20-46-88(102)89-47-21-29-57-103(89)118;1-113(2)79-114(3,88-54-36-55-89(74-88)119(90-66-70-98-94-56-28-32-60-102(94)115(107(98)75-90,80-38-12-4-13-39-80)81-40-14-5-15-41-81)91-67-71-99-95-57-29-33-61-103(95)116(108(99)76-91,82-42-16-6-17-43-82)83-44-18-7-19-45-83)112-106(113)64-37-65-111(112)120(92-68-72-100-96-58-30-34-62-104(96)117(109(100)77-92,84-46-20-8-21-47-84)85-48-22-9-23-49-85)93-69-73-101-97-59-31-35-63-105(97)118(110(101)78-93,86-50-24-10-25-51-86)87-52-26-11-27-53-87/h4-74H,75H2,1-3H3;4-78H,79H2,1-3H3 |
| InChIKey | GCXWXDJDIMBZKL-UHFFFAOYSA-N |
| XLogP | 58.09 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3059.97 |
| LogP ≤ 5 | 58.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |