C201H132N6O3 — CID 159482642
N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine (PubChem CID 159482642) has the molecular formula C201H132N6O3 and a molecular weight of 2679.31 g/mol. Its IUPAC name is N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine.
| Compound Name | N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine |
|---|---|
| PubChem CID | 159482642 |
| Molecular Formula | C201H132N6O3 |
| Molecular Weight | 2679.31 g/mol |
| Exact Mass | 2677.04 |
| IUPAC Name | N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc5c(cc34)-c3ccccc3C5(c3ccccc3)c3ccccc3)c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)c3cccc4c3oc3cc5c(cc34)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4oc5cc6c(cc5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1 |
| InChI | InChI=1S/3C67H44N2O/c1-5-18-45(19-6-1)47-32-36-51(37-33-47)68(53-40-41-56-55-27-14-16-30-62(55)69(64(56)42-53)52-38-34-48(35-39-52)46-20-7-2-8-21-46)63-31-17-28-57-59-43-58-54-26-13-15-29-60(54)67(49-22-9-3-10-23-49,50-24-11-4-12-25-50)61(58)44-65(59)70-66(57)63;1-5-17-45(18-6-1)47-29-33-51(34-30-47)68(54-37-39-57-56-26-14-16-28-63(56)69(64(57)42-54)52-35-31-48(32-36-52)46-19-7-2-8-20-46)53-38-40-65-59(41-53)60-43-58-55-25-13-15-27-61(55)67(49-21-9-3-10-22-49,50-23-11-4-12-24-50)62(58)44-66(60)70-65;1-5-17-45(18-6-1)47-29-33-51(34-30-47)68(53-37-39-57-56-26-14-16-28-63(56)69(64(57)41-53)52-35-31-48(32-36-52)46-19-7-2-8-20-46)54-38-40-58-60-43-59-55-25-13-15-27-61(55)67(49-21-9-3-10-22-49,50-23-11-4-12-24-50)62(59)44-66(60)70-65(58)42-54/h3*1-44H |
| InChIKey | LXEPYOGETPBBPM-UHFFFAOYSA-N |
| XLogP | 53.55 |
| TPSA | 63.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 210 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2679.31 |
| LogP ≤ 5 | 53.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |