C179H128N6 — CID 161242415
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-1-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine;3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline (PubChem CID 161242415) has the molecular formula C179H128N6 and a molecular weight of 2363.03 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-1-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine;3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline.
| Compound Name | N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-1-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine;3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline |
|---|---|
| PubChem CID | 161242415 |
| Molecular Formula | C179H128N6 |
| Molecular Weight | 2363.03 g/mol |
| Exact Mass | 2361.02 |
| IUPAC Name | N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-1-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine;3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline |
| SMILES | c1ccc(-c2cccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5ccc6ccccc6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cccc6ccccc56)c4)ccc32)cc1 |
| InChI | InChI=1S/C61H44N2.2C59H42N2/c1-6-20-45(21-7-1)46-22-18-32-55(42-46)62(54-39-37-52(38-40-54)61(49-24-8-2-9-25-49,50-26-10-3-11-27-50)51-28-12-4-13-29-51)56-33-19-23-47(43-56)48-36-41-60-58(44-48)57-34-16-17-35-59(57)63(60)53-30-14-5-15-31-53;1-5-22-46(23-6-1)59(47-24-7-2-8-25-47,48-26-9-3-10-27-48)49-36-38-51(39-37-49)60(56-34-18-20-43-19-13-14-31-53(43)56)52-30-17-21-44(41-52)45-35-40-58-55(42-45)54-32-15-16-33-57(54)61(58)50-28-11-4-12-29-50;1-5-21-47(22-6-1)59(48-23-7-2-8-24-48,49-25-9-3-10-26-49)50-34-37-52(38-35-50)60(54-36-32-43-18-13-14-19-44(43)40-54)53-29-17-20-45(41-53)46-33-39-58-56(42-46)55-30-15-16-31-57(55)61(58)51-27-11-4-12-28-51/h1-44H;2*1-42H |
| InChIKey | VAEMUAXUFKGGLE-UHFFFAOYSA-N |
| XLogP | 46.88 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 185 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2363.03 |
| LogP ≤ 5 | 46.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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