C126H90N2O2 — CID 157073472
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 157073472) has the molecular formula C126H90N2O2 and a molecular weight of 1664.12 g/mol. Its IUPAC name is 7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
| Compound Name | 7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 157073472 |
| Molecular Formula | C126H90N2O2 |
| Molecular Weight | 1664.12 g/mol |
| Exact Mass | 1662.70 |
| IUPAC Name | 7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine |
| SMILES | CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21.CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21 |
| InChI | InChI=1S/2C63H45NO/c1-63(2)59-40-51(50-28-36-62-58(39-50)57-21-9-10-22-61(57)65-62)27-34-55(59)56-35-33-54(41-60(56)63)64(52-29-23-44(24-30-52)48-19-11-17-46(37-48)42-13-5-3-6-14-42)53-31-25-45(26-32-53)49-20-12-18-47(38-49)43-15-7-4-8-16-43;1-63(2)59-40-51(50-30-38-62-58(39-50)57-15-9-10-16-61(57)65-62)29-36-55(59)56-37-35-54(41-60(56)63)64(52-31-25-48(26-32-52)46-21-17-44(18-22-46)42-11-5-3-6-12-42)53-33-27-49(28-34-53)47-23-19-45(20-24-47)43-13-7-4-8-14-43/h2*3-41H,1-2H3 |
| InChIKey | ACRUOKQCRYOGQD-UHFFFAOYSA-N |
| XLogP | 35.39 |
| TPSA | 32.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 130 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1664.12 |
| LogP ≤ 5 | 35.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |