C110H66N4O2 — CID 156576285
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole (PubChem CID 156576285) has the molecular formula C110H66N4O2 and a molecular weight of 1475.76 g/mol. Its IUPAC name is 6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole.
| Compound Name | 6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole |
|---|---|
| PubChem CID | 156576285 |
| Molecular Formula | C110H66N4O2 |
| Molecular Weight | 1475.76 g/mol |
| Exact Mass | 1474.52 |
| IUPAC Name | 6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole |
| SMILES | c1ccc2cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccc(-c9cccc%10c9oc9ccccc9%10)cc87)cc6)cc5c5ccc(-c6ccc7c(c6)oc6c(-c8ccc9c%10ccccc%10n(-c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12ccccc%12c%11)cc%10)c9c8)cccc67)cc54)cc3)ccc2c1 |
| InChI | InChI=1S/C110H66N4O2/c1-3-17-72-59-74(32-31-67(72)15-1)69-33-46-83(47-34-69)113-102-57-44-76(71-37-50-82(51-38-71)111-99-27-9-5-19-87(99)90-54-42-79(64-105(90)111)85-23-13-25-95-93-22-8-12-30-107(93)115-109(85)95)62-98(102)92-53-40-77(63-104(92)113)78-41-56-94-96-26-14-24-86(110(96)116-108(94)66-78)80-43-55-91-88-20-6-10-28-100(88)112(106(91)65-80)81-48-35-70(36-49-81)75-45-58-103-97(61-75)89-21-7-11-29-101(89)114(103)84-52-39-68-16-2-4-18-73(68)60-84/h1-66H |
| InChIKey | GJARZPGMDCMFRD-UHFFFAOYSA-N |
| XLogP | 30.18 |
| TPSA | 46.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 116 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1475.76 |
| LogP ≤ 5 | 30.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |