C177H121N13 — CID 161428422
N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 161428422) has the molecular formula C177H121N13 and a molecular weight of 2430.01 g/mol. Its IUPAC name is N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline.
| Compound Name | N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline |
|---|---|
| PubChem CID | 161428422 |
| Molecular Formula | C177H121N13 |
| Molecular Weight | 2430.01 g/mol |
| Exact Mass | 2427.99 |
| IUPAC Name | N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3)c3ccc(-c4ccccn4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2ccc3ccc4c5cc(-c6ccc(N(c7ccc(-c8ncncn8)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7ccccc7-8)cc6)ccc5n(-c5ccccc5)c4c32)cc1 |
| InChI | InChI=1S/C66H44N6.C56H39N3.C55H38N4/c1-5-15-49(16-6-1)66(50-17-7-2-8-18-50)60-24-14-13-23-56(60)57-37-35-55(42-61(57)66)71(54-33-27-47(28-34-54)65-68-43-67-44-69-65)53-31-25-45(26-32-53)48-30-38-62-59(41-48)58-36-29-46-39-40-70(51-19-9-3-10-20-51)63(46)64(58)72(62)52-21-11-4-12-22-52;1-5-13-40(14-6-1)42-21-29-49(30-22-42)58(50-31-23-43(24-32-50)41-15-7-2-8-16-41)51-33-25-44(26-34-51)46-28-36-54-53(39-46)52-35-27-45-37-38-57(47-17-9-3-10-18-47)55(45)56(52)59(54)48-19-11-4-12-20-48;1-4-12-39(13-5-1)40-19-27-47(28-20-40)58(49-31-23-42(24-32-49)52-18-10-11-36-56-52)48-29-21-41(22-30-48)44-26-34-53-51(38-44)50-33-25-43-35-37-57(45-14-6-2-7-15-45)54(43)55(50)59(53)46-16-8-3-9-17-46/h1-44H;1-39H;1-38H |
| InChIKey | VXRJZTONBVLODS-UHFFFAOYSA-N |
| XLogP | 45.87 |
| TPSA | 90.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2430.01 |
| LogP ≤ 5 | 45.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |