C222H176N8 — CID 160999297
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 160999297) has the molecular formula C222H176N8 and a molecular weight of 2955.91 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.
| Compound Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine |
|---|---|
| PubChem CID | 160999297 |
| Molecular Formula | C222H176N8 |
| Molecular Weight | 2955.91 g/mol |
| Exact Mass | 2953.40 |
| IUPAC Name | N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine |
| SMILES | c1cc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc(N(c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c3cccc4ccccc34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)c2)cc1.c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)cc1 |
| InChI | InChI=1S/C58H46N2.2C56H44N2.C52H42N2/c1-2-12-40(13-3-1)43-14-10-15-48(37-43)59(56-23-11-20-53-57(56)51-18-4-7-19-52(51)58(53)44-33-38-32-39(35-44)36-45(58)34-38)46-28-24-41(25-29-46)42-26-30-47(31-27-42)60-54-21-8-5-16-49(54)50-17-6-9-22-55(50)60;1-2-16-45-39(12-1)13-10-24-51(45)57(54-25-11-21-50-55(54)48-19-3-6-20-49(48)56(50)41-31-36-30-37(33-41)34-42(56)32-36)43-28-26-38(27-29-43)40-14-9-15-44(35-40)58-52-22-7-4-17-46(52)47-18-5-8-23-53(47)58;1-2-12-40-35-46(28-25-38(40)11-1)57(54-22-10-19-51-55(54)49-17-3-6-18-50(49)56(51)42-30-36-29-37(32-42)33-43(56)31-36)44-26-23-39(24-27-44)41-13-9-14-45(34-41)58-52-20-7-4-15-47(52)48-16-5-8-21-53(48)58;1-2-13-36(14-3-1)41-15-5-9-21-47(41)54(40-27-25-39(26-28-40)53-48-22-10-6-16-42(48)43-17-7-11-23-49(43)53)50-24-12-20-46-51(50)44-18-4-8-19-45(44)52(46)37-30-34-29-35(32-37)33-38(52)31-34/h1-31,37-39,44-45H,32-36H2;1-29,35-37,41-42H,30-34H2;1-28,34-37,42-43H,29-33H2;1-28,34-35,37-38H,29-33H2 |
| InChIKey | TVQPIRNVIYIADW-UHFFFAOYSA-N |
| XLogP | 58.55 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 230 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2955.91 |
| LogP ≤ 5 | 58.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |