C202H126F8N14 — CID 159855027
N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine (PubChem CID 159855027) has the molecular formula C202H126F8N14 and a molecular weight of 2901.31 g/mol. Its IUPAC name is N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine.
| Compound Name | N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine |
|---|---|
| PubChem CID | 159855027 |
| Molecular Formula | C202H126F8N14 |
| Molecular Weight | 2901.31 g/mol |
| Exact Mass | 2899.02 |
| IUPAC Name | N-[4-[4-(4-fluoro-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino)naphthalen-1-yl]phenyl]-N,9-bis(4-fluorophenyl)carbazol-3-amine;4-[[9-(4-fluorophenyl)carbazol-3-yl]-[4-[4-(N-[9-(4-fluorophenyl)carbazol-3-yl]-4-isocyanoanilino)phenyl]naphthalen-1-yl]amino]benzonitrile;9-(4-fluorophenyl)-N-[4-[4-[[9-(4-fluorophenyl)carbazol-3-yl]-naphthalen-1-ylamino]naphthalen-1-yl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine |
| SMILES | Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(F)cc6)c6cccc7ccccc67)c6ccccc56)cc4)c4cccc5ccccc45)ccc32)cc1.Fc1ccc(N(c2ccc(-c3ccc(N(c4ccc(F)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(F)cc2)cc1 |
| InChI | InChI=1S/C72H46F2N4.C66H40F2N6.C64H40F4N4/c73-50-29-35-53(36-30-50)76-68-23-9-7-21-62(68)64-45-55(39-42-71(64)76)75(66-25-11-15-47-13-1-3-17-58(47)66)52-33-27-49(28-34-52)57-41-44-70(61-20-6-5-19-60(57)61)78(67-26-12-16-48-14-2-4-18-59(48)67)56-40-43-72-65(46-56)63-22-8-10-24-69(63)77(72)54-37-31-51(74)32-38-54;1-70-47-22-32-49(33-23-47)71(53-34-37-65-60(40-53)58-10-4-6-12-62(58)73(65)51-28-18-45(67)19-29-51)48-26-16-44(17-27-48)55-36-39-64(57-9-3-2-8-56(55)57)72(50-24-14-43(42-69)15-25-50)54-35-38-66-61(41-54)59-11-5-7-13-63(59)74(66)52-30-20-46(68)21-31-52;65-42-15-25-47(26-16-42)69(51-33-36-63-58(39-51)56-9-3-5-11-60(56)71(63)49-29-19-44(67)20-30-49)46-23-13-41(14-24-46)53-35-38-62(55-8-2-1-7-54(53)55)70(48-27-17-43(66)18-28-48)52-34-37-64-59(40-52)57-10-4-6-12-61(57)72(64)50-31-21-45(68)22-32-50/h1-46H;2-41H;1-40H |
| InChIKey | NQKNIMFTQAQYRG-UHFFFAOYSA-N |
| XLogP | 56.76 |
| TPSA | 77.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2901.31 |
| LogP ≤ 5 | 56.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|