C212H140N8O2 — CID 159992159
11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine (PubChem CID 159992159) has the molecular formula C212H140N8O2 and a molecular weight of 2831.51 g/mol. Its IUPAC name is 11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine.
| Compound Name | 11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine |
|---|---|
| PubChem CID | 159992159 |
| Molecular Formula | C212H140N8O2 |
| Molecular Weight | 2831.51 g/mol |
| Exact Mass | 2829.11 |
| IUPAC Name | 11-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;11-naphthalen-2-yl-N,N-bis(4-phenylphenyl)benzo[a]carbazol-2-amine;7-(11-phenylbenzo[a]carbazol-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-11-(4-phenylphenyl)-N-triphenylen-2-ylbenzo[a]carbazol-3-amine |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccc5cc(N(c6ccccc6)c6ccc7c8ccccc8c8ccccc8c7c6)ccc5c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c67)c5)ccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4c3)cc2)cc1 |
| InChI | InChI=1S/C58H38N2O.C52H34N2O.C52H34N2.C50H34N2/c1-4-12-39(13-5-1)41-20-27-47(28-21-41)59(48-29-22-42(23-30-48)40-14-6-2-7-15-40)49-31-35-53-52-33-25-44(37-56(52)61-57(53)38-49)43-24-32-50-45(36-43)26-34-54-51-18-10-11-19-55(51)60(58(50)54)46-16-8-3-9-17-46;1-3-11-35(12-4-1)37-19-25-40(26-20-37)53(41-27-21-38(22-28-41)36-13-5-2-6-14-36)42-29-23-39-24-31-47-44-15-7-9-17-49(44)54(52(47)48(39)33-42)43-30-32-46-45-16-8-10-18-50(45)55-51(46)34-43;1-3-13-35(14-4-1)36-23-26-39(27-24-36)54-51-22-12-11-21-48(51)49-30-25-37-33-40(28-31-42(37)52(49)54)53(38-15-5-2-6-16-38)41-29-32-47-45-19-8-7-17-43(45)44-18-9-10-20-46(44)50(47)34-41;1-3-11-35(12-4-1)38-19-26-42(27-20-38)51(43-28-21-39(22-29-43)36-13-5-2-6-14-36)45-31-24-40-25-32-47-46-17-9-10-18-49(46)52(50(47)48(40)34-45)44-30-23-37-15-7-8-16-41(37)33-44/h1-38H;1-34H;1-34H;1-34H |
| InChIKey | OHBYMFWVGDXIQA-UHFFFAOYSA-N |
| XLogP | 59.37 |
| TPSA | 58.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 222 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2831.51 |
| LogP ≤ 5 | 59.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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