C174H136N4 — CID 158817105
N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine (PubChem CID 158817105) has the molecular formula C174H136N4 and a molecular weight of 2283.03 g/mol. Its IUPAC name is N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine.
| Compound Name | N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine |
|---|---|
| PubChem CID | 158817105 |
| Molecular Formula | C174H136N4 |
| Molecular Weight | 2283.03 g/mol |
| Exact Mass | 2281.08 |
| IUPAC Name | N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine |
| SMILES | CC1(C)CC(C)(c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(C3(C)CC(C)(C)c4cc(N(c5ccc(C)cc5)c5ccc(-c6ccccc6)cc5)ccc43)c2)cc1 |
| InChI | InChI=1S/C118H86N2.C56H50N2/c1-113(2)79-114(3,88-53-36-54-89(73-88)119(90-63-68-99-95-55-28-32-59-103(95)115(108(99)74-90,80-37-12-4-13-38-80)81-39-14-5-15-40-81)91-64-69-100-96-56-29-33-60-104(96)116(109(100)75-91,82-41-16-6-17-42-82)83-43-18-7-19-44-83)107-72-67-94(78-112(107)113)120(92-65-70-101-97-57-30-34-61-105(97)117(110(101)76-92,84-45-20-8-21-46-84)85-47-22-9-23-48-85)93-66-71-102-98-58-31-35-62-106(98)118(111(102)77-93,86-49-24-10-25-50-86)87-51-26-11-27-52-87;1-40-19-27-47(28-20-40)57(49-31-23-44(24-32-49)42-13-8-6-9-14-42)51-18-12-17-46(37-51)56(5)39-55(3,4)54-38-52(35-36-53(54)56)58(48-29-21-41(2)22-30-48)50-33-25-45(26-34-50)43-15-10-7-11-16-43/h4-78H,79H2,1-3H3;6-38H,39H2,1-5H3 |
| InChIKey | IVKCWCLWVLTQFS-UHFFFAOYSA-N |
| XLogP | 44.63 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2283.03 |
| LogP ≤ 5 | 44.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |