C181H121N21S — CID 160524755
1-(1-benzothiophen-2-yl)-10-phenylpyrrolo[2,3-a]carbazole;1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole;N-[(Z)-2-(9-phenylcarbazol-2-yl)ethenyl]phthalazin-1-amine;10-phenyl-1-(5-phenylpyrazin-2-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-3-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-4-yl)pyrrolo[2,3-a]carbazole (PubChem CID 160524755) has the molecular formula C181H121N21S and a molecular weight of 2622.17 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-10-phenylpyrrolo[2,3-a]carbazole;1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole;N-[(Z)-2-(9-phenylcarbazol-2-yl)ethenyl]phthalazin-1-amine;10-phenyl-1-(5-phenylpyrazin-2-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-3-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-4-yl)pyrrolo[2,3-a]carbazole.
| Compound Name | 1-(1-benzothiophen-2-yl)-10-phenylpyrrolo[2,3-a]carbazole;1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole;N-[(Z)-2-(9-phenylcarbazol-2-yl)ethenyl]phthalazin-1-amine;10-phenyl-1-(5-phenylpyrazin-2-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-3-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-4-yl)pyrrolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 160524755 |
| Molecular Formula | C181H121N21S |
| Molecular Weight | 2622.17 g/mol |
| Exact Mass | 2619.98 |
| IUPAC Name | 1-(1-benzothiophen-2-yl)-10-phenylpyrrolo[2,3-a]carbazole;1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole;N-[(Z)-2-(9-phenylcarbazol-2-yl)ethenyl]phthalazin-1-amine;10-phenyl-1-(5-phenylpyrazin-2-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-3-yl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(6-phenylpyridazin-4-yl)pyrrolo[2,3-a]carbazole |
| SMILES | C(=C\c1ccc2c3ccccc3n(-c3ccccc3)c2c1)\Nc1nncc2ccccc12.c1ccc(-c2cc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)cnn2)cc1.c1ccc(-c2ccc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)nn2)cc1.c1ccc(-c2cnc(-n3ccc4ccc5c6ccccc6n(-c6ccccc6)c5c43)cn2)cc1.c1ccc(-n2c3ccccc3c3ccc4ccn(-c5cc6ccccc6s5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4ccn(-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1 |
| InChI | InChI=1S/C35H23N3.3C30H20N4.C28H20N4.C28H18N2S/c1-2-9-28(10-3-1)38-33-13-7-6-12-30(33)31-19-16-25-20-21-37(34(25)35(31)38)27-17-14-24(15-18-27)32-23-36-22-26-8-4-5-11-29(26)32;1-3-9-21(10-4-1)27-19-24(20-31-32-27)33-18-17-22-15-16-26-25-13-7-8-14-28(25)34(30(26)29(22)33)23-11-5-2-6-12-23;1-3-9-21(10-4-1)26-19-32-28(20-31-26)33-18-17-22-15-16-25-24-13-7-8-14-27(24)34(30(25)29(22)33)23-11-5-2-6-12-23;1-3-9-21(10-4-1)26-17-18-28(32-31-26)33-20-19-22-15-16-25-24-13-7-8-14-27(24)34(30(25)29(22)33)23-11-5-2-6-12-23;1-2-9-22(10-3-1)32-26-13-7-6-12-24(26)25-15-14-20(18-27(25)32)16-17-29-28-23-11-5-4-8-21(23)19-30-31-28;1-2-9-21(10-3-1)30-24-12-6-5-11-22(24)23-15-14-19-16-17-29(27(19)28(23)30)26-18-20-8-4-7-13-25(20)31-26/h1-23H;3*1-20H;1-19H,(H,29,31);1-18H/b;;;;17-16-; |
| InChIKey | QUSZWCPTSVHQAZ-IYPOIOIMSA-N |
| XLogP | 45.25 |
| TPSA | 182.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2622.17 |
| LogP ≤ 5 | 45.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 22 |