C256H200F12N12 — CID 159918160
3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 159918160) has the molecular formula C256H200F12N12 and a molecular weight of 3672.48 g/mol. Its IUPAC name is 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile.
| Compound Name | 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile |
|---|---|
| PubChem CID | 159918160 |
| Molecular Formula | C256H200F12N12 |
| Molecular Weight | 3672.48 g/mol |
| Exact Mass | 3669.58 |
| IUPAC Name | 3-[4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[4,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-methylphenyl]benzonitrile;3-[5-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile;3-[4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-methyl-5-[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzonitrile |
| SMILES | Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(C)c(-c5cccc(C#N)c5)cc4-n4c5ccccc5c5ccc(-c6cc(C)cc(C(F)(F)F)c6)cc54)c3c2)c1 |
| InChI | InChI=1S/2C74H65N3.C54H32F9N3.C54H38F3N3/c1-41-25-46(6)71(47(7)26-41)56-17-21-65-61(35-56)62-36-57(72-48(8)27-42(2)28-49(72)9)18-22-66(62)76(65)69-33-45(5)60(55-16-14-15-54(34-55)40-75)39-70(69)77-67-23-19-58(73-50(10)29-43(3)30-51(73)11)37-63(67)64-38-59(20-24-68(64)77)74-52(12)31-44(4)32-53(74)13;1-41-25-46(6)71(47(7)26-41)56-17-21-60-61-22-18-57(72-48(8)27-42(2)28-49(72)9)36-66(61)76(65(60)35-56)69-33-45(5)64(55-16-14-15-54(34-55)40-75)39-70(69)77-67-37-58(73-50(10)29-43(3)30-51(73)11)19-23-62(67)63-24-20-59(38-68(63)77)74-52(12)31-44(4)32-53(74)13;1-30-18-36(22-38(19-30)52(55,56)57)33-14-16-48-44(25-33)41-10-3-5-12-46(41)65(48)50-20-31(2)43(35-9-7-8-32(21-35)29-64)28-51(50)66-47-13-6-4-11-42(47)45-26-34(15-17-49(45)66)37-23-39(53(58,59)60)27-40(24-37)54(61,62)63;1-32-20-33(2)22-40(21-32)37-16-18-45-43-12-5-7-14-48(43)59(50(45)28-37)52-25-35(4)47(39-11-9-10-36(26-39)31-58)30-53(52)60-49-15-8-6-13-44(49)46-19-17-38(29-51(46)60)41-23-34(3)24-42(27-41)54(55,56)57/h2*14-39H,1-13H3;3-28H,1-2H3;5-30H,1-4H3 |
| InChIKey | NYBAWEGKYLGSMC-UHFFFAOYSA-N |
| XLogP | 71.63 |
| TPSA | 134.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3672.48 |
| LogP ≤ 5 | 71.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |