C321H217N25 — CID 162220599
N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 162220599) has the molecular formula C321H217N25 and a molecular weight of 4424.44 g/mol. Its IUPAC name is N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
| Compound Name | N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline |
|---|---|
| PubChem CID | 162220599 |
| Molecular Formula | C321H217N25 |
| Molecular Weight | 4424.44 g/mol |
| Exact Mass | 4420.77 |
| IUPAC Name | N-[3-[4,6-bis[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N,9-diphenylcarbazol-2-amine;N-[4-[2,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]pyrimidin-4-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline;4-[2,4-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]quinazolin-6-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline |
| SMILES | c1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)c4c3)cc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.c1ccc(N(c2cccc(-c3nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)nc(-c4cccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)n3)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C116H78N8.C112H76N8.C93H63N9/c1-7-25-89(26-8-1)119(96-61-45-80(46-62-96)86-55-71-104-101-37-19-22-40-109(101)122(112(104)76-86)92-31-13-4-14-32-92)95-59-43-79(44-60-95)85-58-74-108-107(75-85)115(83-51-67-99(68-52-83)120(90-27-9-2-10-28-90)97-63-47-81(48-64-97)87-56-72-105-102-38-20-23-41-110(102)123(113(105)77-87)93-33-15-5-16-34-93)118-116(117-108)84-53-69-100(70-54-84)121(91-29-11-3-12-30-91)98-65-49-82(50-66-98)88-57-73-106-103-39-21-24-42-111(103)124(114(106)78-88)94-35-17-6-18-36-94;1-7-25-86(26-8-1)115(92-58-43-77(44-59-92)83-55-70-101-98-37-19-22-40-106(98)118(109(101)73-83)89-31-13-4-14-32-89)95-64-49-80(50-65-95)104-76-105(81-51-66-96(67-52-81)116(87-27-9-2-10-28-87)93-60-45-78(46-61-93)84-56-71-102-99-38-20-23-41-107(99)119(110(102)74-84)90-33-15-5-16-34-90)114-112(113-104)82-53-68-97(69-54-82)117(88-29-11-3-12-30-88)94-62-47-79(48-63-94)85-57-72-103-100-39-21-24-42-108(100)120(111(103)75-85)91-35-17-6-18-36-91;1-7-31-67(32-8-1)97(76-52-55-82-79-46-19-22-49-85(79)100(88(82)61-76)70-37-13-4-14-38-70)73-43-25-28-64(58-73)91-94-92(65-29-26-44-74(59-65)98(68-33-9-2-10-34-68)77-53-56-83-80-47-20-23-50-86(80)101(89(83)62-77)71-39-15-5-16-40-71)96-93(95-91)66-30-27-45-75(60-66)99(69-35-11-3-12-36-69)78-54-57-84-81-48-21-24-51-87(81)102(90(84)63-78)72-41-17-6-18-42-72/h1-78H;1-76H;1-63H |
| InChIKey | ZUBKMPXUVRLVOS-UHFFFAOYSA-N |
| XLogP | 86.09 |
| TPSA | 163.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 346 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4424.44 |
| LogP ≤ 5 | 86.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |