C180H122N6S — CID 159678919
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]thiophen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-6-[4-[7-(4-phenylphenyl)benzo[c]carbazol-10-yl]phenyl]naphthalen-2-amine (PubChem CID 159678919) has the molecular formula C180H122N6S and a molecular weight of 2421.19 g/mol. Its IUPAC name is N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]thiophen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-6-[4-[7-(4-phenylphenyl)benzo[c]carbazol-10-yl]phenyl]naphthalen-2-amine.
| Compound Name | N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]thiophen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-6-[4-[7-(4-phenylphenyl)benzo[c]carbazol-10-yl]phenyl]naphthalen-2-amine |
|---|---|
| PubChem CID | 159678919 |
| Molecular Formula | C180H122N6S |
| Molecular Weight | 2421.19 g/mol |
| Exact Mass | 2419.07 |
| IUPAC Name | N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]thiophen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-6-[4-[7-(4-phenylphenyl)benzo[c]carbazol-10-yl]phenyl]naphthalen-2-amine |
| SMILES | [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4)s3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6ccc8ccccc8c6n7-c6ccccc6)cc5)ccc4c3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc4cc(-c5ccc(-c6ccc7c(c6)c6c8ccccc8ccc6n7-c6ccc(-c7ccccc7)cc6)cc5)ccc4c3)cc2)c([2H])c1[2H] |
| InChI | InChI=1S/2C62H42N2.C56H38N2S/c1-4-12-43(13-5-1)45-26-33-55(34-27-45)63(54-17-8-3-9-18-54)57-37-30-51-40-50(24-25-52(51)41-57)47-20-22-48(23-21-47)53-32-38-60-59(42-53)62-58-19-11-10-16-49(58)31-39-61(62)64(60)56-35-28-46(29-36-56)44-14-6-2-7-15-44;1-4-12-43(13-5-1)45-26-33-55(34-27-45)63(56-35-28-46(29-36-56)44-14-6-2-7-15-44)57-37-30-51-40-50(24-25-52(51)41-57)47-20-22-48(23-21-47)53-32-39-61-60(42-53)59-38-31-49-16-10-11-19-58(49)62(59)64(61)54-17-8-3-9-18-54;1-4-12-39(13-5-1)41-24-30-48(31-25-41)57(49-32-26-42(27-33-49)40-14-6-2-7-15-40)55-37-36-54(59-55)45-22-20-43(21-23-45)46-29-34-52-51(38-46)56-50-19-11-10-16-44(50)28-35-53(56)58(52)47-17-8-3-9-18-47/h2*1-42H;1-38H/i2*1D,4D,5D,12D,13D;1D,2D,4D,5D,6D,7D,12D,13D,14D,15D |
| InChIKey | MUYSBHFVWGDUCX-UMXYTEOMSA-N |
| XLogP | 50.59 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 187 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2421.19 |
| LogP ≤ 5 | 50.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |