C198H154N10 — CID 159582762
9,9-diethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine (PubChem CID 159582762) has the molecular formula C198H154N10 and a molecular weight of 2673.48 g/mol. Its IUPAC name is 9,9-diethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine.
| Compound Name | 9,9-diethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine |
|---|---|
| PubChem CID | 159582762 |
| Molecular Formula | C198H154N10 |
| Molecular Weight | 2673.48 g/mol |
| Exact Mass | 2671.24 |
| IUPAC Name | 9,9-diethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-dinaphthalen-2-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine |
| SMILES | CC1(C)c2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccccn3)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccn3)cc21.CCC1(CC)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C)cc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C55H40N2.2C49H40N2.C45H34N4/c1-55(2)51-35-45(56(43-27-25-37-13-3-5-17-41(37)33-43)53-23-11-19-39-15-7-9-21-47(39)53)29-31-49(51)50-32-30-46(36-52(50)55)57(44-28-26-38-14-4-6-18-42(38)34-44)54-24-12-20-40-16-8-10-22-48(40)54;1-33-19-23-37(24-20-33)50(47-17-9-13-35-11-5-7-15-41(35)47)39-27-29-43-44-30-28-40(32-46(44)49(3,4)45(43)31-39)51(38-25-21-34(2)22-26-38)48-18-10-14-36-12-6-8-16-42(36)48;1-3-49(4-2)45-33-39(50(37-21-7-5-8-22-37)47-27-15-19-35-17-11-13-25-41(35)47)29-31-43(45)44-32-30-40(34-46(44)49)51(38-23-9-6-10-24-38)48-28-16-20-36-18-12-14-26-42(36)48;1-45(2)41-29-37(48(43-15-7-9-25-46-43)35-19-17-31-11-3-5-13-33(31)27-35)21-23-39(41)40-24-22-38(30-42(40)45)49(44-16-8-10-26-47-44)36-20-18-32-12-4-6-14-34(32)28-36/h3-36H,1-2H3;5-32H,1-4H3;5-34H,3-4H2,1-2H3;3-30H,1-2H3 |
| InChIKey | MJFNRMRRPSOMBE-UHFFFAOYSA-N |
| XLogP | 55.45 |
| TPSA | 51.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2673.48 |
| LogP ≤ 5 | 55.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |