C248H188F12N16 — CID 157419478
2-[2,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 157419478) has the molecular formula C248H188F12N16 and a molecular weight of 3620.32 g/mol. Its IUPAC name is 2-[2,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
| Compound Name | 2-[2,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile |
|---|---|
| PubChem CID | 157419478 |
| Molecular Formula | C248H188F12N16 |
| Molecular Weight | 3620.32 g/mol |
| Exact Mass | 3617.50 |
| IUPAC Name | 2-[2,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[2,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile;2-[5-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile |
| SMILES | Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C#N)c(-n3c4ccccc4c4cc(-c5cc(C)cc(C(F)(F)F)c5)ccc43)cn2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(-c3ccccc3C#N)c(-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)cn2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(-c5ccccc5C#N)c(-n5c6cc(-c7c(C)cc(C)cc7C)ccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cn4)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)c(-n5c6ccccc6c6ccc(-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)cc65)cn4)c3c2)c1 |
| InChI | InChI=1S/2C72H62N4.2C52H32F6N4/c1-40-25-44(5)69(45(6)26-40)52-17-21-63-58(33-52)59-34-53(70-46(7)27-41(2)28-47(70)8)18-22-64(59)75(63)67-39-74-68(37-62(67)57-16-14-13-15-56(57)38-73)76-65-23-19-54(71-48(9)29-42(3)30-49(71)10)35-60(65)61-36-55(20-24-66(61)76)72-50(11)31-43(4)32-51(72)12;1-40-25-44(5)69(45(6)26-40)52-17-21-58-59-22-18-53(70-46(7)27-41(2)28-47(70)8)34-64(59)75(63(58)33-52)67-39-74-68(37-62(67)57-16-14-13-15-56(57)38-73)76-65-35-54(71-48(9)29-42(3)30-49(71)10)19-23-60(65)61-24-20-55(36-66(61)76)72-50(11)31-43(4)32-51(72)12;1-30-19-31(2)21-35(20-30)32-15-18-43-41-12-6-8-14-46(41)62(48(43)25-32)50-27-44(39-10-4-3-9-34(39)28-59)49(29-60-50)61-45-13-7-5-11-40(45)42-17-16-33(24-47(42)61)36-22-37(51(53,54)55)26-38(23-36)52(56,57)58;1-30-19-35(23-37(21-30)51(53,54)55)32-15-17-47-42(25-32)40-11-5-7-13-45(40)61(47)49-29-60-50(27-44(49)39-10-4-3-9-34(39)28-59)62-46-14-8-6-12-41(46)43-26-33(16-18-48(43)62)36-20-31(2)22-38(24-36)52(56,57)58/h2*13-37,39H,1-12H3;2*3-27,29H,1-2H3 |
| InChIKey | BPFTWJSTQGZFHE-UHFFFAOYSA-N |
| XLogP | 67.97 |
| TPSA | 186.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3620.32 |
| LogP ≤ 5 | 67.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |