C246H166N8 — CID 157104879
N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (PubChem CID 157104879) has the molecular formula C246H166N8 and a molecular weight of 3234.09 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.
| Compound Name | N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline |
|---|---|
| PubChem CID | 157104879 |
| Molecular Formula | C246H166N8 |
| Molecular Weight | 3234.09 g/mol |
| Exact Mass | 3231.32 |
| IUPAC Name | N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6ccc(N(c7ccc(-c8cccc9ccccc89)cc7)c7ccc(-c8cccc9ccccc89)cc7)cc6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)ccc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccccc4N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc32)cc1 |
| InChI | InChI=1S/C68H46N2.C62H42N2.C60H40N2.C56H38N2/c1-2-16-57(17-3-1)70-67-23-9-8-20-65(67)66-46-56(38-45-68(66)70)51-30-28-48(29-31-51)47-24-26-49(27-25-47)50-32-39-58(40-33-50)69(59-41-34-54(35-42-59)63-21-10-14-52-12-4-6-18-61(52)63)60-43-36-55(37-44-60)64-22-11-15-53-13-5-7-19-62(53)64;1-2-16-51(17-3-1)64-61-23-9-8-20-59(61)60-42-50(34-41-62(60)64)45-26-24-43(25-27-45)44-28-35-52(36-29-44)63(53-37-30-48(31-38-53)57-21-10-14-46-12-4-6-18-55(46)57)54-39-32-49(33-40-54)58-22-11-15-47-13-5-7-19-56(47)58;1-2-16-49(17-3-1)62-59-23-9-8-20-57(59)58-40-48(31-37-60(58)62)45-24-25-47-39-52(36-30-46(47)38-45)61(50-32-26-43(27-33-50)55-21-10-14-41-12-4-6-18-53(41)55)51-34-28-44(29-35-51)56-22-11-15-42-13-5-7-19-54(42)56;1-2-18-44(19-3-1)58-55-27-11-9-23-52(55)53-38-43(32-37-56(53)58)51-22-8-10-26-54(51)57(45-33-28-41(29-34-45)49-24-12-16-39-14-4-6-20-47(39)49)46-35-30-42(31-36-46)50-25-13-17-40-15-5-7-21-48(40)50/h1-46H;1-42H;1-40H;1-38H |
| InChIKey | AGEMSAOLINPFQU-UHFFFAOYSA-N |
| XLogP | 68.40 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3234.09 |
| LogP ≤ 5 | 68.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |