C249H168N8 — CID 160626025
4-[9-[4-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[9-[2-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[3-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazol-3-yl]aniline (PubChem CID 160626025) has the molecular formula C249H168N8 and a molecular weight of 3272.14 g/mol. Its IUPAC name is 4-[9-[4-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[9-[2-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[3-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazol-3-yl]aniline.
| Compound Name | 4-[9-[4-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[9-[2-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[3-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazol-3-yl]aniline |
|---|---|
| PubChem CID | 160626025 |
| Molecular Formula | C249H168N8 |
| Molecular Weight | 3272.14 g/mol |
| Exact Mass | 3269.34 |
| IUPAC Name | 4-[9-[4-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[9-[2-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[3-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazol-3-yl]aniline |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cc4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C75H50N2.C62H42N2.2C56H38N2/c1-5-21-55(22-6-1)75(56-23-7-2-8-24-56)69-35-19-17-29-61(69)62-47-41-54(50-70(62)75)74-66-33-15-13-31-64(66)73(65-32-14-16-34-67(65)74)52-39-45-60(46-40-52)77-71-36-20-18-30-63(71)68-49-53(42-48-72(68)77)51-37-43-59(44-38-51)76(57-25-9-3-10-26-57)58-27-11-4-12-28-58;1-4-16-46(17-5-1)61-54-23-10-12-25-56(54)62(57-26-13-11-24-55(57)61)47-30-28-43(29-31-47)44-32-39-52(40-33-44)64-59-27-15-14-22-53(59)58-42-48(36-41-60(58)64)45-34-37-51(38-35-45)63(49-18-6-2-7-19-49)50-20-8-3-9-21-50;1-4-18-40(19-5-1)55-46-25-10-12-27-48(46)56(49-28-13-11-26-47(49)55)50-29-15-17-31-53(50)58-52-30-16-14-24-45(52)51-38-41(34-37-54(51)58)39-32-35-44(36-33-39)57(42-20-6-2-7-21-42)43-22-8-3-9-23-43;1-4-17-40(18-5-1)55-48-26-10-12-28-50(48)56(51-29-13-11-27-49(51)55)42-19-16-24-46(37-42)58-53-30-15-14-25-47(53)52-38-41(33-36-54(52)58)39-31-34-45(35-32-39)57(43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-50H;1-42H;2*1-38H |
| InChIKey | RHHRFJGFCKGDLD-UHFFFAOYSA-N |
| XLogP | 68.27 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 257 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3272.14 |
| LogP ≤ 5 | 68.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|