C169H134N4 — CID 160513135
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine (PubChem CID 160513135) has the molecular formula C169H134N4 and a molecular weight of 2220.96 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine.
| Compound Name | N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine |
|---|---|
| PubChem CID | 160513135 |
| Molecular Formula | C169H134N4 |
| Molecular Weight | 2220.96 g/mol |
| Exact Mass | 2219.06 |
| IUPAC Name | N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine |
| SMILES | CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc3ccccc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3c-4ccc4ccccc34)ccc2-c2ccc3ccccc3c21.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2c-3ccc3ccccc23)c2ccc3c(c2)C(C)(C)c2c-3ccc3ccccc23)cc1 |
| InChI | InChI=1S/C45H37N.C44H35N.C43H33N.C37H29N/c1-28-14-18-31(19-15-28)46(32-20-24-36-38-22-16-29-10-6-8-12-34(29)42(38)44(2,3)40(36)26-32)33-21-25-37-39-23-17-30-11-7-9-13-35(30)43(39)45(4,5)41(37)27-33;1-43(2)39-26-31(20-24-35(39)37-22-18-28-12-8-10-16-33(28)41(37)43)45(30-14-6-5-7-15-30)32-21-25-36-38-23-19-29-13-9-11-17-34(29)42(38)44(3,4)40(36)27-32;1-43(2)41-29-37(26-28-39(41)40-27-21-34-15-9-10-16-38(34)42(40)43)44(35-22-17-32(18-23-35)30-11-5-3-6-12-30)36-24-19-33(20-25-36)31-13-7-4-8-14-31;1-37(2)35-25-31(22-24-33(35)34-23-19-28-13-9-10-16-32(28)36(34)37)38(29-14-7-4-8-15-29)30-20-17-27(18-21-30)26-11-5-3-6-12-26/h6-27H,1-5H3;5-27H,1-4H3;3-29H,1-2H3;3-25H,1-2H3 |
| InChIKey | QTHPLFDXSZVHGF-UHFFFAOYSA-N |
| XLogP | 46.69 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 173 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2220.96 |
| LogP ≤ 5 | 46.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |