C178H148N4 — CID 162217373
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 162217373) has the molecular formula C178H148N4 and a molecular weight of 2343.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine.
| Compound Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 162217373 |
| Molecular Formula | C178H148N4 |
| Molecular Weight | 2343.17 g/mol |
| Exact Mass | 2341.17 |
| IUPAC Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine |
| SMILES | CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc65)cc4)cc32)cc1)C(C)(C)C.CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc32)cc1)C(C)(C)C |
| InChI | InChI=1S/C92H76N2.C86H72N2/c1-89(2,3)58-86(90(4,5)6)64-32-30-61(31-33-64)66-40-50-76-73-23-13-17-27-81(73)92(84(76)55-66)82-28-18-14-24-74(82)77-51-41-67(56-85(77)92)63-38-47-70(48-39-63)94-87-29-19-15-25-78(87)79-54-65(42-53-88(79)94)62-36-45-69(46-37-62)93(68-43-34-60(35-44-68)59-20-10-9-11-21-59)71-49-52-75-72-22-12-16-26-80(72)91(7,8)83(75)57-71;1-83(2,3)54-80(84(4,5)6)59-32-30-57(31-33-59)61-38-46-70-67-23-13-17-27-75(67)86(78(70)51-61)76-28-18-14-24-68(76)71-48-45-65(53-79(71)86)88-81-29-19-15-25-72(81)73-50-60(39-49-82(73)88)58-36-42-63(43-37-58)87(62-40-34-56(35-41-62)55-20-10-9-11-21-55)64-44-47-69-66-22-12-16-26-74(66)85(7,8)77(69)52-64/h9-57,86H,58H2,1-8H3;9-53,80H,54H2,1-8H3 |
| InChIKey | ZTQQXBGDOIMYCM-UHFFFAOYSA-N |
| XLogP | 48.61 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 182 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2343.17 |
| LogP ≤ 5 | 48.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |