C248H180N8O — CID 160811790
2-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)dibenzofuran-1-amine (PubChem CID 160811790) has the molecular formula C248H180N8O and a molecular weight of 3288.22 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)dibenzofuran-1-amine.
| Compound Name | 2-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)dibenzofuran-1-amine |
|---|---|
| PubChem CID | 160811790 |
| Molecular Formula | C248H180N8O |
| Molecular Weight | 3288.22 g/mol |
| Exact Mass | 3285.43 |
| IUPAC Name | 2-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)dibenzofuran-1-amine |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C6(CCCC6)c6ccccc6-7)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C6(CCCC6)c6ccccc6-7)cc5)c5cccc6oc7ccccc7c56)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C6(CCCC6)c6ccccc6-7)cc5)c5ccccc5-c5ccc6ccccc6c5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)C6(CCCC6)c6ccccc6-7)cc5)c5ccccc5-c5cccc6ccccc56)cc4)cc32)cc1 |
| InChI | InChI=1S/3C63H46N2.C59H42N2O/c1-2-17-48(18-3-1)65-61-26-11-8-22-56(61)57-38-32-47(42-62(57)65)44-29-35-50(36-30-44)64(60-25-10-7-21-55(60)52-23-14-16-45-15-4-5-19-51(45)52)49-33-27-43(28-34-49)46-31-37-54-53-20-6-9-24-58(53)63(59(54)41-46)39-12-13-40-63;1-2-16-50(17-3-1)65-61-23-11-8-20-56(61)57-37-31-48(42-62(57)65)45-28-34-52(35-29-45)64(60-22-10-7-18-53(60)49-25-24-43-14-4-5-15-46(43)40-49)51-32-26-44(27-33-51)47-30-36-55-54-19-6-9-21-58(54)63(59(55)41-47)38-12-13-39-63;1-2-14-51(15-3-1)65-61-19-9-7-17-57(61)58-37-29-50(42-62(58)65)46-26-34-54(35-27-46)64(52-30-22-44(23-31-52)48-21-20-43-12-4-5-13-47(43)40-48)53-32-24-45(25-33-53)49-28-36-56-55-16-6-8-18-59(55)63(60(56)41-49)38-10-11-39-63;1-2-13-43(14-3-1)61-53-19-8-5-16-48(53)49-34-28-42(38-55(49)61)40-25-31-45(32-26-40)60(54-20-12-22-57-58(54)50-17-6-9-21-56(50)62-57)44-29-23-39(24-30-44)41-27-33-47-46-15-4-7-18-51(46)59(52(47)37-41)35-10-11-36-59/h1-11,14-38,41-42H,12-13,39-40H2;1-11,14-37,40-42H,12-13,38-39H2;1-9,12-37,40-42H,10-11,38-39H2;1-9,12-34,37-38H,10-11,35-36H2 |
| InChIKey | SEJUGMLYXCVDGE-UHFFFAOYSA-N |
| XLogP | 68.07 |
| TPSA | 45.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 257 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3288.22 |
| LogP ≤ 5 | 68.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |