C190H119N3O3 — CID 158812758
3-dibenzofuran-2-yl-6-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[4-naphthalen-1-yl-8-phenyl-6-(3-phenylphenyl)dibenzofuran-2-yl]-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(8-phenyldibenzofuran-2-yl)carbazole (PubChem CID 158812758) has the molecular formula C190H119N3O3 and a molecular weight of 2492.06 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[4-naphthalen-1-yl-8-phenyl-6-(3-phenylphenyl)dibenzofuran-2-yl]-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(8-phenyldibenzofuran-2-yl)carbazole.
| Compound Name | 3-dibenzofuran-2-yl-6-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[4-naphthalen-1-yl-8-phenyl-6-(3-phenylphenyl)dibenzofuran-2-yl]-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(8-phenyldibenzofuran-2-yl)carbazole |
|---|---|
| PubChem CID | 158812758 |
| Molecular Formula | C190H119N3O3 |
| Molecular Weight | 2492.06 g/mol |
| Exact Mass | 2489.93 |
| IUPAC Name | 3-dibenzofuran-2-yl-6-phenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[4-naphthalen-1-yl-8-phenyl-6-(3-phenylphenyl)dibenzofuran-2-yl]-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(8-phenyldibenzofuran-2-yl)carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5oc6ccccc6c5c4)ccc2n3-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)cc4c3c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc4c3oc3c(-c5cccc6ccccc56)cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5)cc34)c2)cc1 |
| InChI | InChI=1S/C78H49NO.2C56H35NO/c1-4-21-50(22-5-1)54-29-18-30-56(43-54)68-46-58(51-23-6-2-7-24-51)47-71-72-49-59(48-70(78(72)80-77(68)71)62-39-20-28-52-25-10-11-33-61(52)62)55-41-42-74-69(45-55)63-34-16-17-40-73(63)79(74)60-32-19-31-57(44-60)76-66-37-14-12-35-64(66)75(53-26-8-3-9-27-53)65-36-13-15-38-67(65)76;1-3-14-36(15-4-1)38-27-30-53-49(34-38)50-35-40(28-31-54(50)58-53)39-26-29-52-48(33-39)43-20-11-12-25-51(43)57(52)42-19-13-18-41(32-42)56-46-23-9-7-21-44(46)55(37-16-5-2-6-17-37)45-22-8-10-24-47(45)56;1-3-14-36(15-4-1)38-26-29-51-48(33-38)49-34-39(40-28-31-54-50(35-40)43-20-11-12-25-53(43)58-54)27-30-52(49)57(51)42-19-13-18-41(32-42)56-46-23-9-7-21-44(46)55(37-16-5-2-6-17-37)45-22-8-10-24-47(45)56/h1-49H;2*1-35H |
| InChIKey | IUWUZUGLKPWSFT-UHFFFAOYSA-N |
| XLogP | 53.13 |
| TPSA | 54.21 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2492.06 |
| LogP ≤ 5 | 53.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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