C165H114N6 — CID 161188876
9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 161188876) has the molecular formula C165H114N6 and a molecular weight of 2195.86 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)fluoren-3-amine.
| Compound Name | 9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)fluoren-3-amine |
|---|---|
| PubChem CID | 161188876 |
| Molecular Formula | C165H114N6 |
| Molecular Weight | 2195.86 g/mol |
| Exact Mass | 2194.00 |
| IUPAC Name | 9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)fluoren-3-amine;9-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-9-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)fluoren-3-amine |
| SMILES | [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c5ccccc5n(-c5ccccc5)c34)c3ccccc3-c3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc32)c([2H])c1[2H] |
| InChI | InChI=1S/3C55H38N2/c1-5-20-39(21-6-1)44-28-14-17-34-52(44)56(41-24-9-3-10-25-41)43-36-37-50-48(38-43)45-29-13-16-32-49(45)55(50,40-22-7-2-8-23-40)51-33-19-31-47-46-30-15-18-35-53(46)57(54(47)51)42-26-11-4-12-27-42;1-5-19-39(20-6-1)45-27-14-17-31-52(45)56(42-23-9-3-10-24-42)44-34-35-51-48(38-44)46-28-13-16-30-50(46)55(51,40-21-7-2-8-22-40)41-33-36-54-49(37-41)47-29-15-18-32-53(47)57(54)43-25-11-4-12-26-43;1-5-19-39(20-6-1)45-27-14-17-31-52(45)56(42-23-9-3-10-24-42)44-34-36-51-49(38-44)46-28-13-16-30-50(46)55(51,40-21-7-2-8-22-40)41-33-35-48-47-29-15-18-32-53(47)57(54(48)37-41)43-25-11-4-12-26-43/h3*1-38H/i2D,7D,8D,22D,23D;2*2D,7D,8D,21D,22D |
| InChIKey | UTLJIBXWZVOYBX-SJCKXKKBSA-N |
| XLogP | 42.85 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2195.86 |
| LogP ≤ 5 | 42.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |