C294H204FN15S — CID 159701242
N-[4-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(6,9-diphenylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-1-amine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline;N-[4-(4-fluorophenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 159701242) has the molecular formula C294H204FN15S and a molecular weight of 4003.07 g/mol. Its IUPAC name is N-[4-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(6,9-diphenylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-1-amine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline;N-[4-(4-fluorophenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.
| Compound Name | N-[4-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(6,9-diphenylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-1-amine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline;N-[4-(4-fluorophenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline |
|---|---|
| PubChem CID | 159701242 |
| Molecular Formula | C294H204FN15S |
| Molecular Weight | 4003.07 g/mol |
| Exact Mass | 3999.64 |
| IUPAC Name | N-[4-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-yl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-(6,9-diphenylcarbazol-2-yl)phenyl]-N-phenylnaphthalen-1-amine;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline;N-[4-(4-fluorophenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;2,3,4,5,6-pentadeuterio-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc3n4-c3ccccc3)cc21.Fc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)cc1.[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8sc9ccccc9c8c7)cc6)c5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5n(-c5ccccc5)c4c3)n2)cc1 |
| InChI | InChI=1S/C58H38N2S.C55H40N2.C51H35N5.C48H33FN2.C46H32N2.C36H26N2/c1-2-10-39(11-3-1)41-18-27-47(28-19-41)59(50-33-24-40-12-4-5-13-44(40)36-50)48-29-20-43(21-30-48)46-25-34-52-51-14-6-8-16-55(51)60(56(52)38-46)49-31-22-42(23-32-49)45-26-35-58-54(37-45)53-15-7-9-17-57(53)61-58;1-55(2)50-22-12-11-21-46(50)47-31-26-40(35-51(47)55)39-28-33-53-49(34-39)48-32-27-41(36-54(48)57(53)43-18-7-4-8-19-43)37-24-29-44(30-25-37)56(42-16-5-3-6-17-42)52-23-13-15-38-14-9-10-20-45(38)52;1-6-16-37(17-7-1)49-52-50(38-18-8-2-9-19-38)54-51(53-49)40-29-33-46-45-32-28-39(34-47(45)56(48(46)35-40)43-24-14-5-15-25-43)36-26-30-44(31-27-36)55(41-20-10-3-11-21-41)42-22-12-4-13-23-42;49-40-24-15-35(16-25-40)37-19-28-43(29-20-37)50(42-26-17-36(18-27-42)34-9-3-1-4-10-34)44-30-21-38(22-31-44)39-23-32-46-45-13-7-8-14-47(45)51(48(46)33-39)41-11-5-2-6-12-41;1-4-13-33(14-5-1)36-26-30-45-43(31-36)42-29-25-37(32-46(42)48(45)39-19-8-3-9-20-39)34-23-27-40(28-24-34)47(38-17-6-2-7-18-38)44-22-12-16-35-15-10-11-21-41(35)44;1-4-12-29(13-5-1)37(30-14-6-2-7-15-30)32-23-20-27(21-24-32)28-22-25-34-33-18-10-11-19-35(33)38(36(34)26-28)31-16-8-3-9-17-31/h1-38H;3-36H,1-2H3;1-35H;1-33H;1-32H;1-26H/i;;;;;1D,4D,5D,12D,13D |
| InChIKey | MXQKYZVXHBELQT-LQQCZZOASA-N |
| XLogP | 80.98 |
| TPSA | 87.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 311 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4003.07 |
| LogP ≤ 5 | 80.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |