N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
C337H222N12O4S4 — CID 158039277
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 158039277) has the molecular formula C337H222N12O4S4 and a molecular weight of 4631.83 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
Molecular Properties
| Compound Name | N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
|---|---|
| PubChem CID | 158039277 |
| Molecular Formula | C337H222N12O4S4 |
| Molecular Weight | 4631.83 g/mol |
| Exact Mass | 4627.64 |
| IUPAC Name | N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5cccc6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6sc6ccccc67)cc5)cc4)ccc32)cc1 |
| InChI | InChI=1S/C60H38N2O2.C60H38N2OS.C57H40N2S.C54H36N2O.C54H36N2S.C52H34N2S/c1-2-11-44(12-3-1)62-55-18-7-4-13-49(55)53-37-42(27-35-56(53)62)39-21-29-45(30-22-39)61(46-31-23-40(24-32-46)43-28-36-59-54(38-43)51-15-6-8-19-57(51)63-59)47-33-25-41(26-34-47)48-16-10-17-52-50-14-5-9-20-58(50)64-60(48)52;1-2-12-43(13-3-1)62-55-21-7-4-14-49(55)54-38-42(30-37-56(54)62)39-24-31-44(32-25-39)61(45-33-26-40(27-34-45)47-17-10-19-52-50-15-5-8-22-57(50)63-59(47)52)46-35-28-41(29-36-46)48-18-11-20-53-51-16-6-9-23-58(51)64-60(48)53;1-57(2)51-17-9-6-14-45(51)46-31-30-44(36-52(46)57)58(43-28-22-38(23-29-43)40-25-33-56-50(35-40)48-16-8-11-19-55(48)60-56)42-26-20-37(21-27-42)39-24-32-54-49(34-39)47-15-7-10-18-53(47)59(54)41-12-4-3-5-13-41;2*1-3-11-37(12-4-1)38-19-27-44(28-20-38)55(46-31-23-40(24-32-46)42-26-34-54-50(36-42)48-16-8-10-18-53(48)57-54)45-29-21-39(22-30-45)41-25-33-52-49(35-41)47-15-7-9-17-51(47)56(52)43-13-5-2-6-14-43;1-2-13-40(14-3-1)54-49-18-8-6-16-44(49)46-33-38(25-31-50(46)54)35-21-27-41(28-22-35)53(48-19-10-12-37-11-4-5-15-43(37)48)42-29-23-36(24-30-42)39-26-32-52-47(34-39)45-17-7-9-20-51(45)55-52/h2*1-38H;3-36H,1-2H3;2*1-36H;1-34H |
| InChIKey | FIDOIEHWZWTCAY-UHFFFAOYSA-N |
| XLogP | 96.72 |
| TPSA | 101.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 357 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4631.83 |
| LogP ≤ 5 | 96.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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Sources
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