C241H187N5 — CID 158209221
11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-3-yl)-N-(2-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]benzo[a]fluoren-9-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(2-pyridin-3-ylphenyl)benzo[a]fluoren-9-amine;methane (PubChem CID 158209221) has the molecular formula C241H187N5 and a molecular weight of 3158.21 g/mol. Its IUPAC name is 11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-3-yl)-N-(2-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]benzo[a]fluoren-9-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(2-pyridin-3-ylphenyl)benzo[a]fluoren-9-amine;methane.
| Compound Name | 11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-3-yl)-N-(2-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]benzo[a]fluoren-9-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(2-pyridin-3-ylphenyl)benzo[a]fluoren-9-amine;methane |
|---|---|
| PubChem CID | 158209221 |
| Molecular Formula | C241H187N5 |
| Molecular Weight | 3158.21 g/mol |
| Exact Mass | 3155.51 |
| IUPAC Name | 11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-3-yl)-N-(2-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-(9-naphthalen-2-yl-9-phenylfluoren-2-yl)-N-(2-phenylphenyl)benzo[b]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]benzo[a]fluoren-9-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(2-pyridin-3-ylphenyl)benzo[a]fluoren-9-amine;methane |
| SMILES | C.C.C.C.CC1(C)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccc4ccccc4c3)c3ccccc3-c3ccccc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3cccnc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc3ccccc3cc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccc5ccccc5c3)c3ccccc3-4)c3ccccc3-c3ccccc3)cccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3ccccc3N(c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c([2H])c1[2H] |
| InChI | InChI=1S/C62H45N.2C60H43N.C55H40N2.4CH4/c1-61(2)57-40-48(35-38-54(57)55-36-33-43-21-12-13-29-51(43)60(55)61)63(59-32-17-15-28-50(59)45-23-18-22-44(39-45)42-19-6-3-7-20-42)49-34-37-53-52-30-14-16-31-56(52)62(58(53)41-49,46-24-8-4-9-25-46)47-26-10-5-11-27-47;1-59(2)53-29-17-31-57(58(53)51-37-43-22-11-12-23-44(43)38-54(51)59)61(56-30-16-14-26-48(56)41-19-5-3-6-20-41)47-34-35-50-49-27-13-15-28-52(49)60(55(50)39-47,45-24-7-4-8-25-45)46-33-32-40-18-9-10-21-42(40)36-46;1-59(2)56-39-47(32-35-51(56)52-34-30-42-20-11-12-25-49(42)58(52)59)61(57-28-16-14-24-48(57)41-18-5-3-6-19-41)46-33-36-55-53(38-46)50-26-13-15-27-54(50)60(55,44-22-7-4-8-23-44)45-31-29-40-17-9-10-21-43(40)37-45;1-54(2)50-34-41(29-32-47(50)48-30-27-37-16-9-10-23-44(37)53(48)54)57(52-26-14-12-22-43(52)38-17-15-33-56-36-38)42-28-31-46-45-24-11-13-25-49(45)55(51(46)35-42,39-18-5-3-6-19-39)40-20-7-4-8-21-40;;;;/h3-41H,1-2H3;2*3-39H,1-2H3;3-36H,1-2H3;4*1H4/i3D,6D,7D,19D,20D;;;;;;; |
| InChIKey | GBWDHKUPLZSJQA-ZTDGMLBGSA-N |
| XLogP | 64.50 |
| TPSA | 25.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 246 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3158.21 |
| LogP ≤ 5 | 64.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |