C126H84N4 — CID 146576508
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 146576508) has the molecular formula C126H84N4 and a molecular weight of 1654.09 g/mol. Its IUPAC name is N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine.
| Compound Name | N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 146576508 |
| Molecular Formula | C126H84N4 |
| Molecular Weight | 1654.09 g/mol |
| Exact Mass | 1652.67 |
| IUPAC Name | N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cccc(N(c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc(-c%11cccc(N(c%12ccc%13c(c%12)C(c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12-%13)c%12cccc%13ccccc%12%13)c%11)cc%10)ccc98)cc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)cc4)ccc32)cc1 |
| InChI | InChI=1S/C126H84N4/c1-6-33-96(34-7-1)125(97-35-8-2-9-36-97)116-50-22-18-46-108(116)110-75-73-105(83-118(110)125)127(103-43-26-31-92(79-103)87-55-59-89(60-56-87)94-67-77-123-114(81-94)112-48-20-24-52-121(112)129(123)100-41-14-5-15-42-100)101-69-63-85(64-70-101)86-65-71-102(72-66-86)130-122-53-25-21-49-113(122)115-82-95(68-78-124(115)130)90-61-57-88(58-62-90)93-32-27-44-104(80-93)128(120-54-28-30-91-29-16-17-45-107(91)120)106-74-76-111-109-47-19-23-51-117(109)126(119(111)84-106,98-37-10-3-11-38-98)99-39-12-4-13-40-99/h1-84H |
| InChIKey | KLUUOOZALRUUMU-UHFFFAOYSA-N |
| XLogP | 33.03 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 130 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1654.09 |
| LogP ≤ 5 | 33.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |