C212H155N3O3 — CID 158645272
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine (PubChem CID 158645272) has the molecular formula C212H155N3O3 and a molecular weight of 2792.59 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine.
| Compound Name | 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine |
|---|---|
| PubChem CID | 158645272 |
| Molecular Formula | C212H155N3O3 |
| Molecular Weight | 2792.59 g/mol |
| Exact Mass | 2790.21 |
| IUPAC Name | 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5Oc5ccccc5C6(C)C)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccccc7)ccc5-6)cc4)c4ccccc34)cccc21.CC1(C)c2ccccc2Oc2c(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c4ccccc34)cccc21 |
| InChI | InChI=1S/C80H57NO.C74H53NO.C58H45NO/c1-79(2)72-31-17-18-33-77(72)82-78-71(30-19-32-73(78)79)67-50-51-76(70-29-16-15-28-66(67)70)81(64-44-38-58(39-45-64)57-36-34-56(35-37-57)54-20-7-3-8-21-54)65-46-40-59(41-47-65)61-43-49-69-68-48-42-60(55-22-9-4-10-23-55)52-74(68)80(75(69)53-61,62-24-11-5-12-25-62)63-26-13-6-14-27-63;1-73(2)67-30-16-17-32-71(67)76-72-65(28-18-31-68(72)73)61-47-48-70(64-27-13-12-25-60(61)64)75(58-42-37-53(38-43-58)52-35-33-51(34-36-52)50-19-6-3-7-20-50)59-44-39-54(40-45-59)55-41-46-63-62-26-14-15-29-66(62)74(69(63)49-55,56-21-8-4-9-22-56)57-23-10-5-11-24-57;1-57(2)51-19-8-7-16-49(51)50-36-29-42(37-54(50)57)38-23-30-43(31-24-38)59(44-32-25-40(26-33-44)47-17-11-14-39-13-5-6-15-46(39)47)45-34-27-41(28-35-45)48-18-12-21-53-56(48)60-55-22-10-9-20-52(55)58(53,3)4/h3-53H,1-2H3;3-49H,1-2H3;5-37H,1-4H3 |
| InChIKey | IAWQZYHEGCWOMA-UHFFFAOYSA-N |
| XLogP | 57.26 |
| TPSA | 37.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 218 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2792.59 |
| LogP ≤ 5 | 57.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |