C360H313B4F15N4 — CID 159220456
bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene (PubChem CID 159220456) has the molecular formula C360H313B4F15N4 and a molecular weight of 5023.71 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene.
| Compound Name | bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene |
|---|---|
| PubChem CID | 159220456 |
| Molecular Formula | C360H313B4F15N4 |
| Molecular Weight | 5023.71 g/mol |
| Exact Mass | 5020.47 |
| IUPAC Name | bis(2,4,6-trimethylphenyl)-[4-[2,6,7-tris[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-bis(3-methylbutyl)fluoren-3-yl]phenyl]borane;9,9-diethyl-2,3,6,7-tetrakis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]fluorene;4-[9,9-diethyl-2,6,7-tris[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline;2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3cc4c(cc3-c3ccc5c(c3)C(C)(C)c3ccccc3-5)C(C)(C(F)(F)F)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3-4)cc21.CCC1(CC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.CCC1(CC)c2cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)cc2-c2cc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)c(-c3ccc4c(c3)C(C)(C(F)(F)F)c3ccccc3-4)cc21.Cc1cc(C)c(B(c2ccc(-c3cc4c(cc3-c3ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc3)C(CCC(C)C)(CCC(C)C)c3cc(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)c(-c5ccc(B(c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)cc3-4)cc2)c2c(C)cc(C)cc2C)c(C)c1 |
| InChI | InChI=1S/C119H130B4.C89H70N4.C77H54F12.C75H59F3/c1-69(2)45-47-119(48-46-70(3)4)109-67-105(97-33-41-101(42-34-97)122(115-87(21)57-75(9)58-88(115)22)116-89(23)59-76(10)60-90(116)24)103(95-29-37-99(38-30-95)120(111-79(13)49-71(5)50-80(111)14)112-81(15)51-72(6)52-82(112)16)65-107(109)108-66-104(96-31-39-100(40-32-96)121(113-83(17)53-73(7)54-84(113)18)114-85(19)55-74(8)56-86(114)20)106(68-110(108)119)98-35-43-102(44-36-98)123(117-91(25)61-77(11)62-92(117)26)118-93(27)63-78(12)64-94(118)28;1-3-89(4-2)87-63-83(67-49-57-79(58-50-67)92(73-37-21-9-22-38-73)74-39-23-10-24-40-74)81(65-45-53-77(54-46-65)90(69-29-13-5-14-30-69)70-31-15-6-16-32-70)61-85(87)86-62-82(66-47-55-78(56-48-66)91(71-33-17-7-18-34-71)72-35-19-8-20-36-72)84(64-88(86)89)68-51-59-80(60-52-68)93(75-41-25-11-26-42-75)76-43-27-12-28-44-76;1-7-73(8-2)67-39-55(43-27-31-51-47-19-11-15-23-61(47)71(5,65(51)35-43)76(84,85)86)53(41-25-29-49-45-17-9-13-21-59(45)69(3,63(49)33-41)74(78,79)80)37-57(67)58-38-54(42-26-30-50-46-18-10-14-22-60(46)70(4,64(50)34-42)75(81,82)83)56(40-68(58)73)44-28-32-52-48-20-12-16-24-62(48)72(6,66(52)36-44)77(87,88)89;1-70(2)60-22-14-10-18-46(60)50-30-26-42(34-64(50)70)54-38-58-59-39-55(43-27-31-51-47-19-11-15-23-61(47)71(3,4)65(51)35-43)57(45-29-33-53-49-21-13-17-25-63(49)73(7,8)67(53)37-45)41-69(59)74(9,75(76,77)78)68(58)40-56(54)44-28-32-52-48-20-12-16-24-62(48)72(5,6)66(52)36-44/h29-44,49-70H,45-48H2,1-28H3;5-64H,3-4H2,1-2H3;9-40H,7-8H2,1-6H3;10-41H,1-9H3 |
| InChIKey | KRPPMXSDALDGSJ-UHFFFAOYSA-N |
| XLogP | 91.55 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 383 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5023.71 |
| LogP ≤ 5 | 91.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |