C363H247N21 — CID 161312431
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161312431) has the molecular formula C363H247N21 and a molecular weight of 4903.12 g/mol. Its IUPAC name is 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 161312431 |
| Molecular Formula | C363H247N21 |
| Molecular Weight | 4903.12 g/mol |
| Exact Mass | 4899.00 |
| IUPAC Name | 2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4cccc(-c5cccc6ccccc56)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)cc1 |
| InChI | InChI=1S/3C55H37N3.3C51H35N3.C45H31N3/c1-4-15-38(16-5-1)39-29-31-40(32-30-39)48-35-49(44-23-12-25-46(33-44)52-28-14-22-41-17-10-11-27-51(41)52)37-50(36-48)45-24-13-26-47(34-45)55-57-53(42-18-6-2-7-19-42)56-54(58-55)43-20-8-3-9-21-43;1-4-15-38(16-5-1)44-23-12-24-45(33-44)49-35-48(39-29-31-41(32-30-39)52-28-14-22-40-17-10-11-27-51(40)52)36-50(37-49)46-25-13-26-47(34-46)55-57-53(42-18-6-2-7-19-42)56-54(58-55)43-20-8-3-9-21-43;1-4-14-38(15-5-1)39-26-28-40(29-27-39)48-35-49(41-30-32-43(33-31-41)52-25-13-21-42-16-10-11-24-51(42)52)37-50(36-48)46-22-12-23-47(34-46)55-57-53(44-17-6-2-7-18-44)56-54(58-55)45-19-8-3-9-20-45;1-5-16-36(17-6-1)40-24-13-26-42(30-40)46-33-47(43-27-14-25-41(31-43)37-18-7-2-8-19-37)35-48(34-46)44-28-15-29-45(32-44)51-53-49(38-20-9-3-10-21-38)52-50(54-51)39-22-11-4-12-23-39;1-5-15-36(16-6-1)38-27-29-39(30-28-38)46-33-47(43-24-13-23-42(31-43)37-17-7-2-8-18-37)35-48(34-46)44-25-14-26-45(32-44)51-53-49(40-19-9-3-10-20-40)52-50(54-51)41-21-11-4-12-22-41;1-5-14-36(15-6-1)38-24-28-40(29-25-38)46-33-47(41-30-26-39(27-31-41)37-16-7-2-8-17-37)35-48(34-46)44-22-13-23-45(32-44)51-53-49(42-18-9-3-10-19-42)52-50(54-51)43-20-11-4-12-21-43;1-4-12-32(13-5-1)33-22-24-34(25-23-33)35-26-28-36(29-27-35)39-18-10-19-40(30-39)41-20-11-21-42(31-41)45-47-43(37-14-6-2-7-15-37)46-44(48-45)38-16-8-3-9-17-38/h3*1-37H;3*1-35H;1-31H |
| InChIKey | VJBITTZNZLCNEK-UHFFFAOYSA-N |
| XLogP | 94.25 |
| TPSA | 270.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 384 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4903.12 |
| LogP ≤ 5 | 94.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |