C189H124N12 — CID 161094914
9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 161094914) has the molecular formula C189H124N12 and a molecular weight of 2563.15 g/mol. Its IUPAC name is 9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
| Compound Name | 9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 161094914 |
| Molecular Formula | C189H124N12 |
| Molecular Weight | 2563.15 g/mol |
| Exact Mass | 2561.01 |
| IUPAC Name | 9-[3-[4-[4-(3-naphthalen-1-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-(3-phenanthren-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)cc3)c2)cc1 |
| InChI | InChI=1S/C65H42N4.C63H42N4.C61H40N4/c1-2-15-43(16-3-1)48-18-12-19-49(39-48)44-31-35-46(36-32-44)63-66-64(68-65(67-63)53-22-13-21-51(40-53)60-42-52-17-4-5-24-55(52)56-25-6-7-26-57(56)60)47-37-33-45(34-38-47)50-20-14-23-54(41-50)69-61-29-10-8-27-58(61)59-28-9-11-30-62(59)69;1-3-15-43(16-4-1)49-19-11-21-51(39-49)45-31-35-47(36-32-45)61-64-62(66-63(65-61)55-25-13-23-53(41-55)52-22-12-20-50(40-52)44-17-5-2-6-18-44)48-37-33-46(34-38-48)54-24-14-26-56(42-54)67-59-29-9-7-27-57(59)58-28-8-10-30-60(58)67;1-2-14-41(15-3-1)47-18-10-19-48(38-47)42-30-34-45(35-31-42)59-62-60(64-61(63-59)51-22-11-21-50(39-51)54-27-13-17-44-16-4-5-24-53(44)54)46-36-32-43(33-37-46)49-20-12-23-52(40-49)65-57-28-8-6-25-55(57)56-26-7-9-29-58(56)65/h1-42H;1-42H;1-40H |
| InChIKey | UHQYGWVBSRPIIU-UHFFFAOYSA-N |
| XLogP | 49.04 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2563.15 |
| LogP ≤ 5 | 49.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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