C213H154N6O4 — CID 159106146
N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine (PubChem CID 159106146) has the molecular formula C213H154N6O4 and a molecular weight of 2861.61 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine |
|---|---|
| PubChem CID | 159106146 |
| Molecular Formula | C213H154N6O4 |
| Molecular Weight | 2861.61 g/mol |
| Exact Mass | 2859.20 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2)cccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c2)cccc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cccc13.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4cc6c(cc45)-c4ccccc4C6(C)C)cc3)cc21 |
| InChI | InChI=1S/2C57H40N2O.C54H41NO.C45H33NO/c1-57(2)51-25-11-9-21-45(51)48-35-50-47-24-14-23-44(56(47)60-55(50)36-52(48)57)39-17-13-20-42(33-39)58(41-29-27-38(28-30-41)37-15-5-3-6-16-37)43-31-32-54-49(34-43)46-22-10-12-26-53(46)59(54)40-18-7-4-8-19-40;1-57(2)51-23-9-6-18-45(51)49-35-50-48-22-13-21-44(56(48)60-55(50)36-52(49)57)39-16-12-17-43(34-39)58(40-28-26-38(27-29-40)37-14-4-3-5-15-37)41-30-32-42(33-31-41)59-53-24-10-7-19-46(53)47-20-8-11-25-54(47)59;1-53(2)46-18-10-8-15-40(46)42-30-25-37(31-48(42)53)36-23-28-39(29-24-36)55(38-26-21-35(22-27-38)34-13-6-5-7-14-34)50-20-12-17-43-45-32-44-41-16-9-11-19-47(41)54(3,4)49(44)33-51(45)56-52(43)50;1-45(2)40-18-10-9-16-36(40)38-28-39-37-17-11-19-42(44(37)47-43(39)29-41(38)45)46(34-24-20-32(21-25-34)30-12-5-3-6-13-30)35-26-22-33(23-27-35)31-14-7-4-8-15-31/h2*3-36H,1-2H3;5-33H,1-4H3;3-29H,1-2H3 |
| InChIKey | KDXKISPNFKOYHP-UHFFFAOYSA-N |
| XLogP | 59.28 |
| TPSA | 75.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 223 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2861.61 |
| LogP ≤ 5 | 59.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |