C186H150 — CID 101336380
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 101336380) has the molecular formula C186H150 and a molecular weight of 2385.25 g/mol. Its IUPAC name is 2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene.
| Compound Name | 2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene |
|---|---|
| PubChem CID | 101336380 |
| Molecular Formula | C186H150 |
| Molecular Weight | 2385.25 g/mol |
| Exact Mass | 2383.17 |
| IUPAC Name | 2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc%13c(c%12)C(C)(C)c%12cc(-c%14ccc%15c(c%14)C(C)(C)c%14cc(-c%16ccc%17c(c%16)C(C)(C)c%16ccccc%16-%17)ccc%14-%15)ccc%12-%13)ccc%10-%11)cc(-c%10ccc%11c(c%10)C(C)(C)c%10cc(-c%12ccc%13c(c%12)C(C)(C)c%12cc(-c%14ccc%15c(c%14)C(C)(C)c%14cc(-c%16ccc%17c(c%16)C(C)(C)c%16ccccc%16-%17)ccc%14-%15)ccc%12-%13)ccc%10-%11)c9)ccc7-8)ccc5-6)ccc3-4)cc21 |
| InChI | InChI=1S/C186H150/c1-175(2)151-34-28-25-31-127(151)130-58-37-103(82-154(130)175)106-40-61-133-136-64-43-109(88-160(136)178(7,8)157(133)85-106)112-46-67-139-142-70-49-115(94-166(142)181(13,14)163(139)91-112)118-52-73-145-148-76-55-121(100-172(148)184(19,20)169(145)97-118)124-79-125(122-56-77-149-146-74-53-119(98-170(146)185(21,22)173(149)101-122)116-50-71-143-140-68-47-113(92-164(140)182(15,16)167(143)95-116)110-44-65-137-134-62-41-107(86-158(134)179(9,10)161(137)89-110)104-38-59-131-128-32-26-29-35-152(128)176(3,4)155(131)83-104)81-126(80-124)123-57-78-150-147-75-54-120(99-171(147)186(23,24)174(150)102-123)117-51-72-144-141-69-48-114(93-165(141)183(17,18)168(144)96-117)111-45-66-138-135-63-42-108(87-159(135)180(11,12)162(138)90-111)105-39-60-132-129-33-27-30-36-153(129)177(5,6)156(132)84-105/h25-102H,1-24H3 |
| InChIKey | MTNHEXFMXHMBTP-UHFFFAOYSA-N |
| XLogP | 49.37 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 12 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.25 |
| LogP ≤ 5 | 49.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |