C250H164N16 — CID 158956061
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 158956061) has the molecular formula C250H164N16 and a molecular weight of 3392.17 g/mol. Its IUPAC name is 2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene].
| Compound Name | 2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] |
|---|---|
| PubChem CID | 158956061 |
| Molecular Formula | C250H164N16 |
| Molecular Weight | 3392.17 g/mol |
| Exact Mass | 3389.33 |
| IUPAC Name | 2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene] |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6N7c6ccccc6)c5)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6N7c6ccccc6)c5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5N6c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5N6c5ccccc5)c4)n3)c2)cc1 |
| InChI | InChI=1S/3C64H42N4.C58H38N4/c1-4-18-43(19-5-1)44-34-36-45(37-35-44)47-22-16-24-50(40-47)62-65-61(46-20-6-2-7-21-46)66-63(67-62)51-25-17-23-48(41-51)49-38-39-60-58(42-49)64(55-30-12-10-28-53(55)54-29-11-13-31-56(54)64)57-32-14-15-33-59(57)68(60)52-26-8-3-9-27-52;1-4-17-43(18-5-1)45-31-35-47(36-32-45)61-65-62(48-37-33-46(34-38-48)44-19-6-2-7-20-44)67-63(66-61)51-22-16-21-49(41-51)50-39-40-60-58(42-50)64(55-27-12-10-25-53(55)54-26-11-13-28-56(54)64)57-29-14-15-30-59(57)68(60)52-23-8-3-9-24-52;1-4-17-43(18-5-1)44-31-33-45(34-32-44)46-35-37-48(38-36-46)62-65-61(47-19-6-2-7-20-47)66-63(67-62)51-22-16-21-49(41-51)50-39-40-60-58(42-50)64(55-27-12-10-25-53(55)54-26-11-13-28-56(54)64)57-29-14-15-30-59(57)68(60)52-23-8-3-9-24-52;1-4-18-39(19-5-1)41-22-16-24-44(36-41)56-59-55(40-20-6-2-7-21-40)60-57(61-56)45-25-17-23-42(37-45)43-34-35-54-52(38-43)58(49-30-12-10-28-47(49)48-29-11-13-31-50(48)58)51-32-14-15-33-53(51)62(54)46-26-8-3-9-27-46/h3*1-42H;1-38H |
| InChIKey | JMADFXOBPAMUNG-UHFFFAOYSA-N |
| XLogP | 62.41 |
| TPSA | 167.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 266 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3392.17 |
| LogP ≤ 5 | 62.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |