C228H196N2 — CID 58876409
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline (PubChem CID 58876409) has the molecular formula C228H196N2 and a molecular weight of 2964.09 g/mol. Its IUPAC name is 4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline.
| Compound Name | 4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline |
|---|---|
| PubChem CID | 58876409 |
| Molecular Formula | C228H196N2 |
| Molecular Weight | 2964.09 g/mol |
| Exact Mass | 2961.54 |
| IUPAC Name | 4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(CCCc7ccc(N(c8ccc(CCCc9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)cc8)c8ccc(-c9ccc(N(c%10ccc(CCCc%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(C)(C)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)cc%10)c%10ccc(CCCc%11ccc%12c(c%11)C(C)(C)c%11cc(-c%13ccc%14c(c%13)C(C)(C)c%13cc(-c%15ccc%16c(c%15)C(C)(C)c%15ccccc%15-%16)ccc%13-%14)ccc%11-%12)cc%10)cc9)cc8)cc7)ccc5-6)ccc3-4)cc21 |
| InChI | InChI=1S/C228H196N2/c1-217(2)193-49-29-25-45-169(193)177-101-69-147(121-201(177)217)155-77-109-185-189-113-81-159(133-213(189)225(17,18)209(185)129-155)151-73-105-181-173-97-61-141(117-197(173)221(9,10)205(181)125-151)41-33-37-137-53-85-163(86-54-137)229(164-87-55-138(56-88-164)38-34-42-142-62-98-174-182-106-74-152(126-206(182)222(11,12)198(174)118-142)160-82-114-190-186-110-78-156(130-210(186)226(19,20)214(190)134-160)148-70-102-178-170-46-26-30-50-194(170)218(3,4)202(178)122-148)167-93-65-145(66-94-167)146-67-95-168(96-68-146)230(165-89-57-139(58-90-165)39-35-43-143-63-99-175-183-107-75-153(127-207(183)223(13,14)199(175)119-143)161-83-115-191-187-111-79-157(131-211(187)227(21,22)215(191)135-161)149-71-103-179-171-47-27-31-51-195(171)219(5,6)203(179)123-149)166-91-59-140(60-92-166)40-36-44-144-64-100-176-184-108-76-154(128-208(184)224(15,16)200(176)120-144)162-84-116-192-188-112-80-158(132-212(188)228(23,24)216(192)136-162)150-72-104-180-172-48-28-32-52-196(172)220(7,8)204(180)124-150/h25-32,45-136H,33-44H2,1-24H3 |
| InChIKey | RZHCYWHKIDJAGS-UHFFFAOYSA-N |
| XLogP | 60.01 |
| TPSA | 6.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 230 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2964.09 |
| LogP ≤ 5 | 60.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |