C153H105N21OS — CID 167567333
2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine (PubChem CID 167567333) has the molecular formula C153H105N21OS and a molecular weight of 2285.74 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine.
| Compound Name | 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine |
|---|---|
| PubChem CID | 167567333 |
| Molecular Formula | C153H105N21OS |
| Molecular Weight | 2285.74 g/mol |
| Exact Mass | 2283.85 |
| IUPAC Name | 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine |
| SMILES | CC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncn4)cc3)c3ccc(-c4cnccn4)cc3)cc(-n3c4ccccc4c4ccccc43)n2)c2ccccc21.c1ccc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3cc(N4c5ccccc5Sc5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2)nc1.c1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3cncnc3)cc2)cc(-n2c3ccccc3c3ccccc32)n1 |
| InChI | InChI=1S/C52H38N8.C51H34N6S.C50H33N7O/c1-52(2)42-13-5-9-17-48(42)60(49-18-10-6-14-43(49)52)51-32-39(31-50(57-51)59-46-15-7-3-11-40(46)41-12-4-8-16-47(41)59)58(37-23-19-35(20-24-37)44-27-28-54-34-56-44)38-25-21-36(22-26-38)45-33-53-29-30-55-45;1-3-14-44-41(11-1)42-12-2-4-15-45(42)56(44)50-33-40(34-51(54-50)57-46-16-5-7-18-48(46)58-49-19-8-6-17-47(49)57)55(38-24-20-35(21-25-38)36-28-31-52-32-29-36)39-26-22-37(23-27-39)43-13-9-10-30-53-43;1-3-11-43-41(9-1)42-10-2-4-12-44(42)56(43)49-29-40(30-50(54-49)57-45-13-5-7-15-47(45)58-48-16-8-6-14-46(48)57)55(38-21-17-34(18-22-38)36-25-27-51-28-26-36)39-23-19-35(20-24-39)37-31-52-33-53-32-37/h3-34H,1-2H3;1-34H;1-33H |
| InChIKey | FLKVKHSDNKMIBL-UHFFFAOYSA-N |
| XLogP | 39.12 |
| TPSA | 198.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2285.74 |
| LogP ≤ 5 | 39.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |