C186H118N5O5P — CID 159899948
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 159899948) has the molecular formula C186H118N5O5P and a molecular weight of 2533.99 g/mol. Its IUPAC name is 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.
| Compound Name | 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole |
|---|---|
| PubChem CID | 159899948 |
| Molecular Formula | C186H118N5O5P |
| Molecular Weight | 2533.99 g/mol |
| Exact Mass | 2531.89 |
| IUPAC Name | 9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-[phenyl-[3-(3-phenylphenyl)phenyl]phosphoryl]carbazole;9-dibenzofuran-2-yl-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]carbazole;3-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole |
| SMILES | O=P(c1ccccc1)(c1cccc(-c2cccc(-c3ccccc3)c2)c1)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)c1.c1ccc(-c2cccc(-c3cccc(-c4ccc5oc6ccc(-c7ccc8oc9ccc(-n%10c%11ccccc%11c%11cc(-c%12ccccc%12)ccc%11%10)cc9c8c7)cc6c5c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7n(-c7ccc8oc9ccccc9c8c7)c6c5)c4)c3)c2)cc1 |
| InChI | InChI=1S/C66H43N2O2P.C60H38N2O.C60H37NO2/c69-71(51-24-5-2-6-25-51,52-26-15-21-47(41-52)46-20-13-19-45(39-46)44-17-3-1-4-18-44)53-36-37-64-59(43-53)57-29-9-12-34-63(57)67(64)49-23-14-22-48(40-49)54-30-16-31-58-60-42-50(35-38-65(60)70-66(54)58)68-61-32-10-7-27-55(61)56-28-8-11-33-62(56)68;1-2-13-39(14-3-1)40-15-10-16-41(33-40)42-17-11-18-43(34-42)44-19-12-20-45(35-44)46-27-31-57-53(36-46)50-22-5-8-25-56(50)61(57)48-28-30-51-49-21-4-7-24-55(49)62(58(51)38-48)47-29-32-60-54(37-47)52-23-6-9-26-59(52)63-60;1-3-11-38(12-4-1)40-15-9-16-41(31-40)42-17-10-18-43(32-42)45-22-27-57-51(34-45)52-35-46(23-28-58(52)62-57)47-24-29-59-53(36-47)54-37-48(25-30-60(54)63-59)61-55-20-8-7-19-49(55)50-33-44(21-26-56(50)61)39-13-5-2-6-14-39/h1-43H;1-38H;1-37H |
| InChIKey | NVVALEAYKBUWDG-UHFFFAOYSA-N |
| XLogP | 49.79 |
| TPSA | 94.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 197 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2533.99 |
| LogP ≤ 5 | 49.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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