C188H135N3 — CID 158615846
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine (PubChem CID 158615846) has the molecular formula C188H135N3 and a molecular weight of 2436.17 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine.
| Compound Name | N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine |
|---|---|
| PubChem CID | 158615846 |
| Molecular Formula | C188H135N3 |
| Molecular Weight | 2436.17 g/mol |
| Exact Mass | 2434.07 |
| IUPAC Name | N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine |
| SMILES | CC1(C)c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21 |
| InChI | InChI=1S/C66H47N.C62H45N.C60H43N/c1-65(2)61-35-33-54(42-60(61)59-40-47-22-14-15-23-48(47)41-63(59)65)67(56-38-50(44-18-6-3-7-19-44)37-51(39-56)49-31-30-45-20-12-13-21-46(45)36-49)55-32-34-58-57-28-16-17-29-62(57)66(64(58)43-55,52-24-8-4-9-25-52)53-26-10-5-11-27-53;1-61(2)57-37-35-49(40-56(57)55-38-44-20-12-13-21-45(44)39-59(55)61)63(48-32-30-43(31-33-48)52-27-15-14-26-51(52)42-18-6-3-7-19-42)50-34-36-54-53-28-16-17-29-58(53)62(60(54)41-50,46-22-8-4-9-23-46)47-24-10-5-11-25-47;1-59(2)55-33-31-49(38-54(55)53-36-43-18-11-12-19-44(43)37-57(53)59)61(48-25-15-20-42(35-48)45-29-28-40-16-9-10-17-41(40)34-45)50-30-32-52-51-26-13-14-27-56(51)60(58(52)39-50,46-21-5-3-6-22-46)47-23-7-4-8-24-47/h3-43H,1-2H3;3-41H,1-2H3;3-39H,1-2H3 |
| InChIKey | HXJKDFYPLPZBMT-UHFFFAOYSA-N |
| XLogP | 49.58 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 191 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2436.17 |
| LogP ≤ 5 | 49.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |