C122H78N4 — CID 146517009
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole (PubChem CID 146517009) has the molecular formula C122H78N4 and a molecular weight of 1599.99 g/mol. Its IUPAC name is 3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole.
| Compound Name | 3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 146517009 |
| Molecular Formula | C122H78N4 |
| Molecular Weight | 1599.99 g/mol |
| Exact Mass | 1598.62 |
| IUPAC Name | 3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc(C5(c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-c%13ccc(C%14(c%15ccc(-c%16ccc%17c(c%16)c%16ccccc%16n%17-c%16ccccc%16)cc%15)c%15ccccc%15-c%15ccccc%15%14)cc%13)ccc%12%11)c%10)ccc98)cc7)cc6)c6ccccc6-c6ccccc65)cc4)ccc32)cc1 |
| InChI | InChI=1S/C122H78N4/c1-3-25-93(26-4-1)123-113-42-19-11-34-101(113)105-75-85(56-70-117(105)123)81-48-62-90(63-49-81)121(109-38-15-7-30-97(109)98-31-8-16-39-110(98)121)89-60-46-79(47-61-89)80-54-68-95(69-55-80)125-115-44-21-13-36-103(115)108-78-88(59-73-119(108)125)84-24-23-29-96(74-84)126-116-45-22-14-37-104(116)107-77-87(58-72-120(107)126)83-52-66-92(67-53-83)122(111-40-17-9-32-99(111)100-33-10-18-41-112(100)122)91-64-50-82(51-65-91)86-57-71-118-106(76-86)102-35-12-20-43-114(102)124(118)94-27-5-2-6-28-94/h1-78H |
| InChIKey | DSIICWCJRYXYMA-UHFFFAOYSA-N |
| XLogP | 31.14 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 126 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1599.99 |
| LogP ≤ 5 | 31.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |