C203H131N11 — CID 157065030
5-[2,10-bis(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;3-phenyl-5-[12-(5-phenyl-3-pyridinyl)chrysen-6-yl]pyridine;4-phenyl-2-[12-(4-phenyl-2-pyridinyl)chrysen-6-yl]pyridine;2-phenyl-4-[6-(2-phenyl-4-pyridinyl)pyren-1-yl]pyridine;4-phenyl-2-[6-(4-phenyl-2-pyridinyl)pyren-1-yl]pyridine (PubChem CID 157065030) has the molecular formula C203H131N11 and a molecular weight of 2724.36 g/mol. Its IUPAC name is 5-[2,10-bis(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;3-phenyl-5-[12-(5-phenyl-3-pyridinyl)chrysen-6-yl]pyridine;4-phenyl-2-[12-(4-phenyl-2-pyridinyl)chrysen-6-yl]pyridine;2-phenyl-4-[6-(2-phenyl-4-pyridinyl)pyren-1-yl]pyridine;4-phenyl-2-[6-(4-phenyl-2-pyridinyl)pyren-1-yl]pyridine.
| Compound Name | 5-[2,10-bis(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;3-phenyl-5-[12-(5-phenyl-3-pyridinyl)chrysen-6-yl]pyridine;4-phenyl-2-[12-(4-phenyl-2-pyridinyl)chrysen-6-yl]pyridine;2-phenyl-4-[6-(2-phenyl-4-pyridinyl)pyren-1-yl]pyridine;4-phenyl-2-[6-(4-phenyl-2-pyridinyl)pyren-1-yl]pyridine |
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| PubChem CID | 157065030 |
| Molecular Formula | C203H131N11 |
| Molecular Weight | 2724.36 g/mol |
| Exact Mass | 2722.06 |
| IUPAC Name | 5-[2,10-bis(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;3-phenyl-5-[12-(5-phenyl-3-pyridinyl)chrysen-6-yl]pyridine;4-phenyl-2-[12-(4-phenyl-2-pyridinyl)chrysen-6-yl]pyridine;2-phenyl-4-[6-(2-phenyl-4-pyridinyl)pyren-1-yl]pyridine;4-phenyl-2-[6-(4-phenyl-2-pyridinyl)pyren-1-yl]pyridine |
| SMILES | c1ccc(-c2cc(-c3ccc4ccc5c(-c6ccnc(-c7ccccc7)c6)ccc6ccc3c4c65)ccn2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)nc5)c5ccccc5c(-c5ccc(-c6ccccc6)nc5)c4c3)cn2)cc1.c1ccc(-c2ccnc(-c3cc4c5ccccc5c(-c5cc(-c6ccccc6)ccn5)cc4c4ccccc34)c2)cc1.c1ccc(-c2ccnc(-c3ccc4ccc5c(-c6cc(-c7ccccc7)ccn6)ccc6ccc3c4c65)c2)cc1.c1ccc(-c2cncc(-c3cc4c5ccccc5c(-c5cncc(-c6ccccc6)c5)cc4c4ccccc34)c2)cc1 |
| InChI | InChI=1S/C47H31N3.2C40H26N2.2C38H24N2/c1-4-12-32(13-5-1)43-25-21-36(29-48-43)35-20-24-41-42(28-35)47(38-23-27-45(50-31-38)34-16-8-3-9-17-34)40-19-11-10-18-39(40)46(41)37-22-26-44(49-30-37)33-14-6-2-7-15-33;1-3-11-27(12-4-1)29-19-31(25-41-23-29)37-21-39-36-18-10-8-16-34(36)38(22-40(39)35-17-9-7-15-33(35)37)32-20-30(24-42-26-32)28-13-5-2-6-14-28;1-3-11-27(12-4-1)29-19-21-41-39(23-29)37-25-35-32-16-8-10-18-34(32)38(26-36(35)31-15-7-9-17-33(31)37)40-24-30(20-22-42-40)28-13-5-2-6-14-28;1-3-7-25(8-4-1)35-23-29(19-21-39-35)31-15-11-27-14-18-34-32(16-12-28-13-17-33(31)37(27)38(28)34)30-20-22-40-36(24-30)26-9-5-2-6-10-26;1-3-7-25(8-4-1)29-19-21-39-35(23-29)31-15-11-27-14-18-34-32(16-12-28-13-17-33(31)37(27)38(28)34)36-24-30(20-22-40-36)26-9-5-2-6-10-26/h1-31H;2*1-26H;2*1-24H |
| InChIKey | ABTVCUJYNVUBCT-UHFFFAOYSA-N |
| XLogP | 53.47 |
| TPSA | 141.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2724.36 |
| LogP ≤ 5 | 53.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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