C218H144N12 — CID 162071525
N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 162071525) has the molecular formula C218H144N12 and a molecular weight of 2931.63 g/mol. Its IUPAC name is N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
| Compound Name | N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 162071525 |
| Molecular Formula | C218H144N12 |
| Molecular Weight | 2931.63 g/mol |
| Exact Mass | 2929.16 |
| IUPAC Name | N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5(c6ccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9ccccc9c8)n7)cc6)c6ccccc6-c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(C4(c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3ccc(C4(c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C78H52N4.2C70H46N4/c1-3-15-53(16-4-1)58-35-45-68(46-36-58)82(69-47-37-59(38-48-69)54-17-5-2-6-18-54)70-49-39-60(40-50-70)57-31-41-66(42-32-57)78(73-25-13-11-23-71(73)72-24-12-14-26-74(72)78)67-43-33-61(34-44-67)75-79-76(64-29-27-55-19-7-9-21-62(55)51-64)81-77(80-75)65-30-28-56-20-8-10-22-63(56)52-65;1-2-20-60(21-3-1)74(62-43-36-49-16-6-9-19-55(49)46-62)61-41-34-51(35-42-61)50-30-37-58(38-31-50)70(65-24-12-10-22-63(65)64-23-11-13-25-66(64)70)59-39-32-52(33-40-59)67-71-68(56-28-26-47-14-4-7-17-53(47)44-56)73-69(72-67)57-29-27-48-15-5-8-18-54(48)45-57;1-2-21-59(22-3-1)74(66-28-14-20-51-17-8-9-23-61(51)66)60-43-37-50(38-44-60)49-33-39-57(40-34-49)70(64-26-12-10-24-62(64)63-25-11-13-27-65(63)70)58-41-35-52(36-42-58)67-71-68(55-31-29-47-15-4-6-18-53(47)45-55)73-69(72-67)56-32-30-48-16-5-7-19-54(48)46-56/h1-52H;2*1-46H |
| InChIKey | ZBDNSPKQKLSQKM-UHFFFAOYSA-N |
| XLogP | 55.68 |
| TPSA | 125.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.63 |
| LogP ≤ 5 | 55.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |