C245H155N19 — CID 164974566
2-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;3-(9-pyridin-4-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-pyridin-4-yl-3-(9-pyridin-4-ylcarbazol-3-yl)carbazole;9-pyrimidin-5-yl-3-(9-pyrimidin-5-ylcarbazol-3-yl)carbazole (PubChem CID 164974566) has the molecular formula C245H155N19 and a molecular weight of 3365.07 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;3-(9-pyridin-4-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-pyridin-4-yl-3-(9-pyridin-4-ylcarbazol-3-yl)carbazole;9-pyrimidin-5-yl-3-(9-pyrimidin-5-ylcarbazol-3-yl)carbazole.
| Compound Name | 2-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;3-(9-pyridin-4-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-pyridin-4-yl-3-(9-pyridin-4-ylcarbazol-3-yl)carbazole;9-pyrimidin-5-yl-3-(9-pyrimidin-5-ylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 164974566 |
| Molecular Formula | C245H155N19 |
| Molecular Weight | 3365.07 g/mol |
| Exact Mass | 3362.27 |
| IUPAC Name | 2-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;3-(9-pyridin-4-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-pyridin-4-yl-3-(9-pyridin-4-ylcarbazol-3-yl)carbazole;9-pyrimidin-5-yl-3-(9-pyrimidin-5-ylcarbazol-3-yl)carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8c8ccccc8c7c6)c5c4)cc32)cc1.c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccncc3)ccc1n2-c1ccncc1.c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cncnc3)ccc1n2-c1cncnc1.c1ccc2c(c1)c1ccccc1c1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccncc5)ccc43)ccc21 |
| InChI | InChI=1S/2C48H30N2.C47H29N3.C36H24N2.C34H22N4.C32H20N6/c1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)43-28-31(22-26-47(43)49)32-23-27-48-44(29-32)41-19-9-11-21-46(41)50(48)34-24-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)30-34;1-2-12-33(13-3-1)49-45-20-10-8-18-40(45)42-25-22-31(28-47(42)49)32-23-26-43-41-19-9-11-21-46(41)50(48(43)29-32)34-24-27-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)44(39)30-34;1-2-11-36-34(9-1)35-10-3-4-12-37(35)41-29-33(19-20-38(36)41)50-45-16-8-6-14-40(45)43-28-31(18-22-47(43)50)30-17-21-46-42(27-30)39-13-5-7-15-44(39)49(46)32-23-25-48-26-24-32;1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28;1-3-7-31-27(5-1)29-21-23(9-11-33(29)37(31)25-13-17-35-18-14-25)24-10-12-34-30(22-24)28-6-2-4-8-32(28)38(34)26-15-19-36-20-16-26;1-3-7-29-25(5-1)27-13-21(9-11-31(27)37(29)23-15-33-19-34-16-23)22-10-12-32-28(14-22)26-6-2-4-8-30(26)38(32)24-17-35-20-36-18-24/h2*1-30H;1-29H;1-24H;1-22H;1-20H |
| InChIKey | DOZDMLQPTFRTLO-UHFFFAOYSA-N |
| XLogP | 63.43 |
| TPSA | 149.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 264 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3365.07 |
| LogP ≤ 5 | 63.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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