C174H105N9O2 — CID 163533750
2,9-diphenyl-1-[9-[9-[3-[8-[2-phenyl-1-[9-[9-[4-[6-[2-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazol-9-yl]dibenzofuran-3-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole (PubChem CID 163533750) has the molecular formula C174H105N9O2 and a molecular weight of 2353.81 g/mol. Its IUPAC name is 2,9-diphenyl-1-[9-[9-[3-[8-[2-phenyl-1-[9-[9-[4-[6-[2-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazol-9-yl]dibenzofuran-3-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole.
| Compound Name | 2,9-diphenyl-1-[9-[9-[3-[8-[2-phenyl-1-[9-[9-[4-[6-[2-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazol-9-yl]dibenzofuran-3-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole |
|---|---|
| PubChem CID | 163533750 |
| Molecular Formula | C174H105N9O2 |
| Molecular Weight | 2353.81 g/mol |
| Exact Mass | 2351.84 |
| IUPAC Name | 2,9-diphenyl-1-[9-[9-[3-[8-[2-phenyl-1-[9-[9-[4-[6-[2-phenyl-1-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazol-9-yl]dibenzofuran-3-yl]phenyl]carbazol-3-yl]carbazol-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)oc5ccc(-n7c8ccccc8c8ccc(-c9ccccc9)c(-c9ccc%10c%11ccccc%11n(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc(-c%12ccc%13oc%14c(-n%15c%16ccccc%16c%16ccc(-c%17ccccc%17)c(-c%17ccc%18c%19ccccc%19n(-c%19ccc%20c(c%19)c%19ccccc%19n%20-c%19ccccc%19)c%18c%17)c%16%15)cccc%14c%13c%12)cc%11)c%10c9)c87)cc56)c4)c3c2)cc1 |
| InChI | InChI=1S/C174H105N9O2/c1-6-36-107(37-7-1)124-85-88-140-130-51-19-31-64-155(130)181(117-45-14-5-15-46-117)171(140)168(124)113-71-81-136-127-48-17-27-60-151(127)180(162(136)98-113)122-79-93-160-146(104-122)135-56-24-30-63-154(135)177(160)119-47-34-42-110(96-119)112-70-84-139-148-105-123(80-95-165(148)184-167(139)101-112)182-156-65-32-20-52-131(156)141-89-86-125(108-38-8-2-9-39-108)169(172(141)182)114-72-82-137-128-49-16-25-58-149(128)178(163(137)99-114)121-78-92-159-145(103-121)134-55-23-29-62-153(134)176(159)118-75-68-106(69-76-118)111-74-94-166-147(97-111)143-57-35-67-161(174(143)185-166)183-157-66-33-21-53-132(157)142-90-87-126(109-40-10-3-11-41-109)170(173(142)183)115-73-83-138-129-50-18-26-59-150(129)179(164(138)100-115)120-77-91-158-144(102-120)133-54-22-28-61-152(133)175(158)116-43-12-4-13-44-116/h1-105H |
| InChIKey | DVEIWGFDWNYVOL-UHFFFAOYSA-N |
| XLogP | 46.70 |
| TPSA | 70.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.81 |
| LogP ≤ 5 | 46.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |