C209H131N15 — CID 164964028
2-carbazol-9-yl-3-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-4,5,6-trideuteriobenzonitrile;2-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzonitrile;3-(2-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)benzonitrile (PubChem CID 164964028) has the molecular formula C209H131N15 and a molecular weight of 2859.49 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-4,5,6-trideuteriobenzonitrile;2-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzonitrile;3-(2-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)benzonitrile.
| Compound Name | 2-carbazol-9-yl-3-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-4,5,6-trideuteriobenzonitrile;2-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzonitrile;3-(2-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)benzonitrile |
|---|---|
| PubChem CID | 164964028 |
| Molecular Formula | C209H131N15 |
| Molecular Weight | 2859.49 g/mol |
| Exact Mass | 2857.12 |
| IUPAC Name | 2-carbazol-9-yl-3-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-4,5,6-trideuteriobenzonitrile;2-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;4-carbazol-9-yl-3-[2-(9-phenylcarbazol-3-yl)phenyl]benzonitrile;3-(2-carbazol-9-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzonitrile;3-(2-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)benzonitrile |
| SMILES | N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.N#Cc1cccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[2H]c1c([2H])c(C#N)c(-n2c3ccccc3c3ccccc32)c(-c2c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c2[2H])c1[2H] |
| InChI | InChI=1S/4C43H27N3.C37H23N3/c44-28-30-13-12-20-36(34-18-6-11-24-41(34)46-39-22-9-4-16-32(39)33-17-5-10-23-40(33)46)43(30)29-25-26-42-37(27-29)35-19-7-8-21-38(35)45(42)31-14-2-1-3-15-31;44-28-29-22-24-32(30-23-25-43-38(27-30)36-17-7-8-18-39(36)45(43)31-12-2-1-3-13-31)37(26-29)35-16-6-11-21-42(35)46-40-19-9-4-14-33(40)34-15-5-10-20-41(34)46;44-28-30-13-12-21-37(43(30)46-40-23-10-6-18-34(40)35-19-7-11-24-41(35)46)33-17-5-4-16-32(33)29-25-26-42-38(27-29)36-20-8-9-22-39(36)45(42)31-14-2-1-3-15-31;44-28-29-22-24-43(46-40-20-10-6-16-34(40)35-17-7-11-21-41(35)46)37(26-29)33-15-5-4-14-32(33)30-23-25-42-38(27-30)36-18-8-9-19-39(36)45(42)31-12-2-1-3-13-31;38-24-26-10-9-15-28(37(26)40-35-18-7-3-13-31(35)32-14-4-8-19-36(32)40)25-20-22-27(23-21-25)39-33-16-5-1-11-29(33)30-12-2-6-17-34(30)39/h4*1-27H;1-23H/i;;;;9D,10D,15D,20D,21D,22D,23D |
| InChIKey | CFOITNCZQQJAMH-AQSPZXEUSA-N |
| XLogP | 53.77 |
| TPSA | 168.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.49 |
| LogP ≤ 5 | 53.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |