C296H172N16 — CID 159272483
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile (PubChem CID 159272483) has the molecular formula C296H172N16 and a molecular weight of 3952.74 g/mol. Its IUPAC name is 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile.
| Compound Name | 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile |
|---|---|
| PubChem CID | 159272483 |
| Molecular Formula | C296H172N16 |
| Molecular Weight | 3952.74 g/mol |
| Exact Mass | 3949.40 |
| IUPAC Name | 9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile |
| SMILES | N#Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(C#N)cc5)cc4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4n3)cc2)cc1.N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3n2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)c7ccccc7n6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)nc3ccccc23)cc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6c7ccccc7nc7ccccc67)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)c3ccccc3nc2c1 |
| InChI | InChI=1S/C86H52N4.C82H48N4.C70H40N4.C58H32N4/c1-3-19-53(20-4-1)74-51-82(87-80-33-17-15-31-72(74)80)55-35-39-57(40-36-55)84-79-50-61(59-43-45-70-66-27-9-7-23-62(66)64-25-11-13-29-68(64)77(70)47-59)49-76(60-44-46-71-67-28-10-8-24-63(67)65-26-12-14-30-69(65)78(71)48-60)85(79)90-86(89-84)58-41-37-56(38-42-58)83-52-75(54-21-5-2-6-22-54)73-32-16-18-34-81(73)88-83;1-3-21-60-56(17-1)58-19-5-7-23-62(58)71-45-53(41-43-64(60)71)55-47-70(54-42-44-65-61-22-4-2-18-57(61)59-20-6-8-24-63(59)72(65)46-54)81-73(48-55)80(51-37-33-49(34-38-51)78-66-25-9-13-29-74(66)83-75-30-14-10-26-67(75)78)85-82(86-81)52-39-35-50(36-40-52)79-68-27-11-15-31-76(68)84-77-32-16-12-28-69(77)79;71-41-43-17-21-45(22-18-43)47-25-29-49(30-26-47)68-67-40-53(51-33-35-62-58-13-3-1-9-54(58)56-11-5-7-15-60(56)65(62)37-51)39-64(52-34-36-63-59-14-4-2-10-55(59)57-12-6-8-16-61(57)66(63)38-52)69(67)74-70(73-68)50-31-27-48(28-32-50)46-23-19-44(42-72)20-24-46;59-33-35-17-21-37(22-18-35)56-55-32-41(39-25-27-50-46-13-3-1-9-42(46)44-11-5-7-15-48(44)53(50)29-39)31-52(57(55)62-58(61-56)38-23-19-36(34-60)20-24-38)40-26-28-51-47-14-4-2-10-43(47)45-12-6-8-16-49(45)54(51)30-40/h1-52H;1-48H;1-40H;1-32H |
| InChIKey | KXWRSQZTPXWQDB-UHFFFAOYSA-N |
| XLogP | 78.19 |
| TPSA | 249.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3952.74 |
| LogP ≤ 5 | 78.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |