C304H200N24 — CID 160651917
2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine (PubChem CID 160651917) has the molecular formula C304H200N24 and a molecular weight of 4189.11 g/mol. Its IUPAC name is 2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine.
| Compound Name | 2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 160651917 |
| Molecular Formula | C304H200N24 |
| Molecular Weight | 4189.11 g/mol |
| Exact Mass | 4185.64 |
| IUPAC Name | 2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine |
| SMILES | c1cc(-c2ncncn2)cc(C2(c3cccc(-c4ncncn4)c3)c3ccccc3-c3ccccc32)c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(C6(c7cccc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)c7)c7ccccc7-c7ccccc76)c5)n4)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(C5(c6cccc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.c1ccc(-c2ncnc(-c3cccc(C4(c5cccc(-c6ncnc(-c7ccccc7)n6)c5)c5ccccc5-c5ccccc54)c3)n2)cc1 |
| InChI | InChI=1S/C127H84N6.C103H68N6.C43H28N6.C31H20N6/c1-9-35-85(36-10-1)103-71-104(86-37-11-2-12-38-86)76-111(75-103)93-51-29-55-97(67-93)121-128-122(98-56-30-52-94(68-98)112-77-105(87-39-13-3-14-40-87)72-106(78-112)88-41-15-4-16-42-88)131-125(130-121)101-59-33-61-115(83-101)127(119-65-27-25-63-117(119)118-64-26-28-66-120(118)127)116-62-34-60-102(84-116)126-132-123(99-57-31-53-95(69-99)113-79-107(89-43-17-5-18-44-89)73-108(80-113)90-45-19-6-20-46-90)129-124(133-126)100-58-32-54-96(70-100)114-81-109(91-47-21-7-22-48-91)74-110(82-114)92-49-23-8-24-50-92;1-9-31-69(32-10-1)79-55-80(70-33-11-2-12-34-70)60-87(59-79)99-104-97(105-100(108-99)88-61-81(71-35-13-3-14-36-71)56-82(62-88)72-37-15-4-16-38-72)77-47-29-49-91(67-77)103(95-53-27-25-51-93(95)94-52-26-28-54-96(94)103)92-50-30-48-78(68-92)98-106-101(89-63-83(73-39-17-5-18-40-73)57-84(64-89)74-41-19-6-20-42-74)109-102(107-98)90-65-85(75-43-21-7-22-44-75)58-86(66-90)76-45-23-8-24-46-76;1-3-13-29(14-4-1)39-44-27-46-41(48-39)31-17-11-19-33(25-31)43(37-23-9-7-21-35(37)36-22-8-10-24-38(36)43)34-20-12-18-32(26-34)42-47-28-45-40(49-42)30-15-5-2-6-16-30;1-3-13-27-25(11-1)26-12-2-4-14-28(26)31(27,23-9-5-7-21(15-23)29-34-17-32-18-35-29)24-10-6-8-22(16-24)30-36-19-33-20-37-30/h1-84H;1-68H;1-28H;1-20H |
| InChIKey | RKNPDNKRPRDYQG-UHFFFAOYSA-N |
| XLogP | 73.02 |
| TPSA | 309.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4189.11 |
| LogP ≤ 5 | 73.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |