C304H309Br5N4 — CID 160820731
2,7-bis[4-(4-bromophenyl)phenyl]-9,9-dihexylfluorene;4-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]-1,2-dihydrocyclobuta[a]naphthalene;bromobenzene;9,9-dihexylfluoren-2-amine;N-[4-[4-[7-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[1-[4-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine (PubChem CID 160820731) has the molecular formula C304H309Br5N4 and a molecular weight of 4418.36 g/mol. Its IUPAC name is 2,7-bis[4-(4-bromophenyl)phenyl]-9,9-dihexylfluorene;4-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]-1,2-dihydrocyclobuta[a]naphthalene;bromobenzene;9,9-dihexylfluoren-2-amine;N-[4-[4-[7-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[1-[4-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine.
| Compound Name | 2,7-bis[4-(4-bromophenyl)phenyl]-9,9-dihexylfluorene;4-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]-1,2-dihydrocyclobuta[a]naphthalene;bromobenzene;9,9-dihexylfluoren-2-amine;N-[4-[4-[7-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[1-[4-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine |
|---|---|
| PubChem CID | 160820731 |
| Molecular Formula | C304H309Br5N4 |
| Molecular Weight | 4418.36 g/mol |
| Exact Mass | 4410.02 |
| IUPAC Name | 2,7-bis[4-(4-bromophenyl)phenyl]-9,9-dihexylfluorene;4-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]-1,2-dihydrocyclobuta[a]naphthalene;bromobenzene;9,9-dihexylfluoren-2-amine;N-[4-[4-[7-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[1-[4-[4-(N-(9,9-dihexylfluoren-2-yl)anilino)phenyl]phenyl]-1-[4-(1,2-dihydrocyclobuta[a]naphthalen-4-yl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine |
| SMILES | Brc1ccccc1.CC(c1ccc(-c2ccc(Br)cc2)cc1)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2cc3c(c4ccccc24)CC3)cc1.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(Br)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(C(C)(c7ccc(-c8ccc(N(c9ccccc9)c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cc8)cc7)c7ccc(-c8cc9c(c%10ccccc8%10)CC9)cc7)cc6)cc5)c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21 |
| InChI | InChI=1S/C180H189N3.C49H48Br2.C44H32Br2.C25H35N.C6H5Br/c1-10-18-26-48-116-177(117-49-27-19-11-2)168-65-45-42-62-159(168)164-113-107-153(127-173(164)177)181(147-56-36-34-37-57-147)149-99-82-134(83-100-149)130-68-72-138(73-69-130)141-90-111-162-163-112-91-142(126-172(163)180(171(162)125-141,122-54-32-24-16-7)123-55-33-25-17-8)139-74-70-131(71-75-139)135-84-103-151(104-85-135)183(155-109-115-166-161-64-44-47-67-170(161)179(175(166)129-155,120-52-30-22-14-5)121-53-31-23-15-6)152-105-88-137(89-106-152)133-78-95-145(96-79-133)176(9,146-97-80-140(81-98-146)167-124-143-92-110-156(143)157-60-40-41-61-158(157)167)144-93-76-132(77-94-144)136-86-101-150(102-87-136)182(148-58-38-35-39-59-148)154-108-114-165-160-63-43-46-66-169(160)178(174(165)128-154,118-50-28-20-12-3)119-51-29-21-13-4;1-3-5-7-9-31-49(32-10-8-6-4-2)47-33-41(39-15-11-35(12-16-39)37-19-25-43(50)26-20-37)23-29-45(47)46-30-24-42(34-48(46)49)40-17-13-36(14-18-40)38-21-27-44(51)28-22-38;1-44(35-17-6-29(7-18-35)31-12-23-38(45)24-13-31,36-19-8-30(9-20-36)32-14-25-39(46)26-15-32)37-21-10-33(11-22-37)43-28-34-16-27-40(34)41-4-2-3-5-42(41)43;1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25;7-6-4-2-1-3-5-6/h34-47,56-91,93-109,111-115,124-129H,10-33,48-55,92,110,116-123H2,1-9H3;11-30,33-34H,3-10,31-32H2,1-2H3;2-15,17-26,28H,16,27H2,1H3;9-10,13-16,19H,3-8,11-12,17-18,26H2,1-2H3;1-5H |
| InChIKey | SFMZDEZOUHZDKD-UHFFFAOYSA-N |
| XLogP | 92.03 |
| TPSA | 35.74 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 89 |
| Heavy Atoms | 313 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4418.36 |
| LogP ≤ 5 | 92.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |