C120H78N4 — CID 129265445
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole (PubChem CID 129265445) has the molecular formula C120H78N4 and a molecular weight of 1575.97 g/mol. Its IUPAC name is 9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole.
| Compound Name | 9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole |
|---|---|
| PubChem CID | 129265445 |
| Molecular Formula | C120H78N4 |
| Molecular Weight | 1575.97 g/mol |
| Exact Mass | 1574.62 |
| IUPAC Name | 9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10cc(-c%12ccccc%12)ccc%10n%11-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)ccc98)c7)c6)ccc54)c3)c2)cc1 |
| InChI | InChI=1S/C120H78N4/c1-7-27-79(28-8-1)89-51-57-117-109(73-89)111-77-93(55-61-119(111)123(117)103-45-25-41-87(71-103)99-65-95(81-31-11-3-12-32-81)63-96(66-99)82-33-13-4-14-34-82)91-53-59-115-107(75-91)105-47-19-21-49-113(105)121(115)101-43-23-39-85(69-101)86-40-24-44-102(70-86)122-114-50-22-20-48-106(114)108-76-92(54-60-116(108)122)94-56-62-120-112(78-94)110-74-90(80-29-9-2-10-30-80)52-58-118(110)124(120)104-46-26-42-88(72-104)100-67-97(83-35-15-5-16-36-83)64-98(68-100)84-37-17-6-18-38-84/h1-78H |
| InChIKey | QJONQXNUFHMOIE-UHFFFAOYSA-N |
| XLogP | 32.41 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 124 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1575.97 |
| LogP ≤ 5 | 32.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |