C110H65N5 — CID 163849353
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole (PubChem CID 163849353) has the molecular formula C110H65N5 and a molecular weight of 1456.76 g/mol. Its IUPAC name is 9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole.
| Compound Name | 9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole |
|---|---|
| PubChem CID | 163849353 |
| Molecular Formula | C110H65N5 |
| Molecular Weight | 1456.76 g/mol |
| Exact Mass | 1455.52 |
| IUPAC Name | 9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cc2n3-c2cccc(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c2)cc1 |
| InChI | InChI=1S/C110H65N5/c1-2-20-66(21-3-1)69-43-49-103-92(58-69)85-32-8-12-38-99(85)113(103)80-47-53-107-96(65-80)89-48-42-71(62-108(89)115(107)77-27-17-23-68(57-77)75-55-73-25-19-37-91-82-29-5-7-31-84(82)98(61-75)110(73)91)70-44-50-104-93(59-70)86-33-9-13-39-100(86)112(104)78-46-52-106-95(63-78)88-35-11-15-41-102(88)114(106)79-45-51-105-94(64-79)87-34-10-14-40-101(87)111(105)76-26-16-22-67(56-76)74-54-72-24-18-36-90-81-28-4-6-30-83(81)97(60-74)109(72)90/h1-65H |
| InChIKey | OSZDLNIDYSZKFI-UHFFFAOYSA-N |
| XLogP | 29.44 |
| TPSA | 24.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 115 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1456.76 |
| LogP ≤ 5 | 29.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |