C190H127N23S2 — CID 159368132
9-phenyl-3,6-bis(2-pyridin-3-yl-3-pyridinyl)carbazole;2-pyridin-3-yl-3-[10-(2-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]pyridine;2-(2-pyridin-3-yl-3-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]naphthalen-1-yl]-1,3-thiazole;2-pyridin-3-yl-3-[7-(2-pyridin-3-yl-3-pyridinyl)triphenylen-2-yl]pyridine;2-pyridin-3-yl-3-[6,6,12,12-tetramethyl-2-(2-pyridin-3-yl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine (PubChem CID 159368132) has the molecular formula C190H127N23S2 and a molecular weight of 2796.40 g/mol. Its IUPAC name is 9-phenyl-3,6-bis(2-pyridin-3-yl-3-pyridinyl)carbazole;2-pyridin-3-yl-3-[10-(2-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]pyridine;2-(2-pyridin-3-yl-3-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]naphthalen-1-yl]-1,3-thiazole;2-pyridin-3-yl-3-[7-(2-pyridin-3-yl-3-pyridinyl)triphenylen-2-yl]pyridine;2-pyridin-3-yl-3-[6,6,12,12-tetramethyl-2-(2-pyridin-3-yl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine.
| Compound Name | 9-phenyl-3,6-bis(2-pyridin-3-yl-3-pyridinyl)carbazole;2-pyridin-3-yl-3-[10-(2-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]pyridine;2-(2-pyridin-3-yl-3-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]naphthalen-1-yl]-1,3-thiazole;2-pyridin-3-yl-3-[7-(2-pyridin-3-yl-3-pyridinyl)triphenylen-2-yl]pyridine;2-pyridin-3-yl-3-[6,6,12,12-tetramethyl-2-(2-pyridin-3-yl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine |
|---|---|
| PubChem CID | 159368132 |
| Molecular Formula | C190H127N23S2 |
| Molecular Weight | 2796.40 g/mol |
| Exact Mass | 2794.01 |
| IUPAC Name | 9-phenyl-3,6-bis(2-pyridin-3-yl-3-pyridinyl)carbazole;2-pyridin-3-yl-3-[10-(2-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]pyridine;2-(2-pyridin-3-yl-3-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]naphthalen-1-yl]-1,3-thiazole;2-pyridin-3-yl-3-[7-(2-pyridin-3-yl-3-pyridinyl)triphenylen-2-yl]pyridine;2-pyridin-3-yl-3-[6,6,12,12-tetramethyl-2-(2-pyridin-3-yl-3-pyridinyl)indeno[1,2-b]fluoren-8-yl]pyridine |
| SMILES | CC1(C)c2cc(-c3cccnc3-c3cccnc3)ccc2-c2cc3c(cc21)-c1ccc(-c2cccnc2-c2cccnc2)cc1C3(C)C.c1ccc(-n2c3ccc(-c4cccnc4-c4cccnc4)cc3c3cc(-c4cccnc4-c4cccnc4)ccc32)cc1.c1cncc(-c2ncccc2-c2c3ccccc3c(-c3cccnc3-c3cccnc3)c3ccccc23)c1.c1cncc(-c2ncccc2-c2ccc3c4ccc(-c5cccnc5-c5cccnc5)cc4c4ccccc4c3c2)c1.c1cncc(-c2ncccc2-c2ncc(-c3ccc(-c4cnc(-c5cccnc5-c5cccnc5)s4)c4ccccc34)s2)c1 |
| InChI | InChI=1S/C44H34N4.C38H25N5.C38H24N4.C36H22N6S2.C34H22N4/c1-43(2)37-21-27(31-11-7-19-47-41(31)29-9-5-17-45-25-29)13-15-33(37)35-24-40-36(23-39(35)43)34-16-14-28(22-38(34)44(40,3)4)32-12-8-20-48-42(32)30-10-6-18-46-26-30;1-2-10-30(11-3-1)43-35-16-14-26(31-12-6-20-41-37(31)28-8-4-18-39-24-28)22-33(35)34-23-27(15-17-36(34)43)32-13-7-21-42-38(32)29-9-5-19-40-25-29;1-2-10-32-31(9-1)35-21-25(29-11-5-19-41-37(29)27-7-3-17-39-23-27)13-15-33(35)34-16-14-26(22-36(32)34)30-12-6-20-42-38(30)28-8-4-18-40-24-28;1-2-10-26-25(9-1)27(31-21-41-35(43-31)29-11-5-17-39-33(29)23-7-3-15-37-19-23)13-14-28(26)32-22-42-36(44-32)30-12-6-18-40-34(30)24-8-4-16-38-20-24;1-2-12-26-25(11-1)31(29-15-7-19-37-33(29)23-9-5-17-35-21-23)27-13-3-4-14-28(27)32(26)30-16-8-20-38-34(30)24-10-6-18-36-22-24/h5-26H,1-4H3;1-25H;1-24H;1-22H;1-22H |
| InChIKey | LJJSSECUPLVTBW-UHFFFAOYSA-N |
| XLogP | 46.55 |
| TPSA | 288.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 215 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2796.40 |
| LogP ≤ 5 | 46.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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