C268H191F12N15 — CID 158108669
3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole (PubChem CID 158108669) has the molecular formula C268H191F12N15 and a molecular weight of 3849.56 g/mol. Its IUPAC name is 3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole.
| Compound Name | 3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole |
|---|---|
| PubChem CID | 158108669 |
| Molecular Formula | C268H191F12N15 |
| Molecular Weight | 3849.56 g/mol |
| Exact Mass | 3846.52 |
| IUPAC Name | 3,6-bis[9-(2-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]-9H-carbazole;4-(9H-carbazol-3-yl)-N,N-diphenylaniline;N,N-diphenyl-4-(6-phenyl-9H-carbazol-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-carbazol-3-yl]aniline;3-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]-6-[6-[6-(trifluoromethyl)-9-[3-(trifluoromethyl)phenyl]carbazol-3-yl]-9H-carbazol-3-yl]carbazole |
| SMILES | CC(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(C(C)C)cc7)cc6c5c4)ccc32)cc1.CC(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc4[nH]c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6C(C)C)cc5c4c3)ccc21.FC(F)(F)c1cccc(-n2c3ccc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7cc(C(F)(F)F)ccc7n8-c7cccc(C(F)(F)F)c7)cc6c5c4)cc3c3cc(C(F)(F)F)ccc32)c1.c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3c2)cc1.c1ccc(-c2ccccc2-c2ccc3[nH]c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1 |
| InChI | InChI=1S/2C54H43N3.C52H27F12N3.C42H30N2.C36H26N2.C30H22N2/c1-33(2)39-13-5-9-17-49(39)56-51-19-11-7-15-41(51)45-31-37(23-27-53(45)56)35-21-25-47-43(29-35)44-30-36(22-26-48(44)55-47)38-24-28-54-46(32-38)42-16-8-12-20-52(42)57(54)50-18-10-6-14-40(50)34(3)4;1-33(2)35-13-21-41(22-14-35)56-51-11-7-5-9-43(51)47-31-39(19-27-53(47)56)37-17-25-49-45(29-37)46-30-38(18-26-50(46)55-49)40-20-28-54-48(32-40)44-10-6-8-12-52(44)57(54)42-23-15-36(16-24-42)34(3)4;53-49(54,55)31-3-1-5-35(23-31)66-45-15-9-29(21-39(45)41-25-33(51(59,60)61)11-17-47(41)66)27-7-13-43-37(19-27)38-20-28(8-14-44(38)65-43)30-10-16-46-40(22-30)42-26-34(52(62,63)64)12-18-48(42)67(46)36-6-2-4-32(24-36)50(56,57)58;1-4-12-31(13-5-1)37-18-10-11-19-38(37)33-23-27-42-40(29-33)39-28-32(22-26-41(39)43-42)30-20-24-36(25-21-30)44(34-14-6-2-7-15-34)35-16-8-3-9-17-35;1-4-10-26(11-5-1)28-18-22-35-33(24-28)34-25-29(19-23-36(34)37-35)27-16-20-32(21-17-27)38(30-12-6-2-7-13-30)31-14-8-3-9-15-31;1-3-9-24(10-4-1)32(25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31-30/h2*5-34,55H,1-4H3;1-26,65H;1-29,43H;1-25,37H;1-21,31H |
| InChIKey | FQDNMQLDNUGQHX-UHFFFAOYSA-N |
| XLogP | 77.49 |
| TPSA | 134.04 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 295 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3849.56 |
| LogP ≤ 5 | 77.49 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 9 |