C219H144N8O4 — CID 158436069
N-[4-([1]benzofuro[2,3-g]isoquinolin-9-yl)phenyl]-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-g]isoquinolin-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-([1]benzofuro[2,3-g]quinolin-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-([1]benzofuro[3,2-g]quinolin-7-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158436069) has the molecular formula C219H144N8O4 and a molecular weight of 2951.61 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-g]isoquinolin-9-yl)phenyl]-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-g]isoquinolin-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-([1]benzofuro[2,3-g]quinolin-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-([1]benzofuro[3,2-g]quinolin-7-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-([1]benzofuro[2,3-g]isoquinolin-9-yl)phenyl]-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-g]isoquinolin-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-([1]benzofuro[2,3-g]quinolin-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-([1]benzofuro[3,2-g]quinolin-7-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 158436069 |
| Molecular Formula | C219H144N8O4 |
| Molecular Weight | 2951.61 g/mol |
| Exact Mass | 2949.13 |
| IUPAC Name | N-[4-([1]benzofuro[2,3-g]isoquinolin-9-yl)phenyl]-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-4-phenylaniline;N-[4-([1]benzofuro[3,2-g]isoquinolin-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-([1]benzofuro[2,3-g]quinolin-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-([1]benzofuro[3,2-g]quinolin-7-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine |
| SMILES | C1=CCC(C2(c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6oc7cc8ccncc8cc7c6c5)cc4)cc3)c3ccccc3-c3ccccc32)C=C1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7cc8cnccc8cc7c6c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cc7cccnc7cc6c5c4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6cc7ncccc7cc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1 |
| InChI | InChI=1S/C58H36N2O.C58H38N2O.C58H40N2O.C45H30N2O/c1-2-11-37(12-3-1)38-20-25-42(26-21-38)60(43-27-22-39(23-28-43)40-24-31-56-49(33-40)50-34-41-13-10-32-59-55(41)36-57(50)61-56)44-29-30-48-47-16-6-9-19-53(47)58(54(48)35-44)51-17-7-4-14-45(51)46-15-5-8-18-52(46)58;1-4-13-39(14-5-1)40-22-27-46(28-23-40)60(47-29-24-41(25-30-47)42-26-33-56-51(35-42)52-38-55-43(15-12-34-59-55)36-57(52)61-56)48-31-32-50-49-20-10-11-21-53(49)58(54(50)37-48,44-16-6-2-7-17-44)45-18-8-3-9-19-45;1-3-11-39(12-4-1)40-19-26-47(27-20-40)60(48-28-21-41(22-29-48)42-23-32-56-52(35-42)53-36-44-38-59-34-33-43(44)37-57(53)61-56)49-30-24-46(25-31-49)58(45-13-5-2-6-14-45)54-17-9-7-15-50(54)51-16-8-10-18-55(51)58;1-3-7-31(8-4-1)32-11-13-33(14-12-32)34-15-20-40(21-16-34)47(39-9-5-2-6-10-39)41-22-17-35(18-23-41)36-19-24-44-42(27-36)43-28-37-25-26-46-30-38(37)29-45(43)48-44/h1-36H;1-38H;1-13,15-38,45H,14H2;1-30H |
| InChIKey | HCFVFJAJOURISA-UHFFFAOYSA-N |
| XLogP | 58.57 |
| TPSA | 117.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 231 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2951.61 |
| LogP ≤ 5 | 58.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |