C289H199F2N23 — CID 158281567
6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile (PubChem CID 158281567) has the molecular formula C289H199F2N23 and a molecular weight of 4031.93 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile.
| Compound Name | 6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile |
|---|---|
| PubChem CID | 158281567 |
| Molecular Formula | C289H199F2N23 |
| Molecular Weight | 4031.93 g/mol |
| Exact Mass | 4028.62 |
| IUPAC Name | 6-(2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(3,4-dihydro-2H-quinolin-1-yl)pyren-1-yl]anilino)benzonitrile;6-fluoro-1-[6-(6-fluoro-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole;6-(6-isocyano-2,3-dihydroindol-1-yl)-N,N-diphenylpyren-1-amine;2-(N-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]anilino)benzonitrile;1-[6-(6-isocyano-2,3-dihydroindol-1-yl)pyren-1-yl]-2,3-dihydroindole-6-carbonitrile |
| SMILES | Fc1ccc2c(c1)N(c1ccc3ccc4c(N5CCc6ccc(F)cc65)ccc5ccc1c3c54)CC2.N#Cc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N4CCCc5ccccc54)ccc4ccc1c2c43.N#Cc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N4CCc5ccccc54)ccc4ccc1c2c43.[C-]#[N+]c1ccc2c(c1)N(c1ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc1c3c54)CC2.[C-]#[N+]c1ccc2c(c1)N(c1ccc3ccc4c(N(c5ccccc5)c5ccccc5C#N)ccc5ccc1c3c54)CC2.[C-]#[N+]c1ccc2c(c1)N(c1ccc3ccc4c(N5CCc6ccc(C#N)cc65)ccc5ccc1c3c54)CC2.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N5CCCc6ccccc65)ccc5ccc2c3c54)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N5CCc6ccccc65)ccc5ccc2c3c54)cc1 |
| InChI | InChI=1S/C38H24N4.C38H27N3.2C37H25N3.C37H28N2.C36H26N2.C34H22N4.C32H22F2N2/c1-40-29-16-11-25-21-22-41(36(25)23-29)34-19-14-26-13-18-32-35(20-15-27-12-17-31(34)37(26)38(27)32)42(30-8-3-2-4-9-30)33-10-6-5-7-28(33)24-39;39-25-29-10-5-7-15-34(29)41(30-12-2-1-3-13-30)36-23-19-28-16-20-31-35(22-18-27-17-21-32(36)38(28)37(27)31)40-24-8-11-26-9-4-6-14-33(26)40;1-38-28-17-12-25-22-23-39(35(25)24-28)33-20-15-26-14-19-32-34(21-16-27-13-18-31(33)36(26)37(27)32)40(29-8-4-2-5-9-29)30-10-6-3-7-11-30;38-24-28-9-5-7-13-33(28)40(29-10-2-1-3-11-29)35-21-17-27-14-18-30-34(39-23-22-25-8-4-6-12-32(25)39)20-16-26-15-19-31(35)37(27)36(26)30;1-3-12-29(13-4-1)39(30-14-5-2-6-15-30)35-24-20-28-17-21-31-34(23-19-27-18-22-32(35)37(28)36(27)31)38-25-9-11-26-10-7-8-16-33(26)38;1-3-10-28(11-4-1)38(29-12-5-2-6-13-29)34-22-18-27-15-19-30-33(37-24-23-25-9-7-8-14-32(25)37)21-17-26-16-20-31(34)36(27)35(26)30;1-36-26-9-4-23-15-17-38(32(23)19-26)30-13-8-25-5-10-27-29(12-7-24-6-11-28(30)34(25)33(24)27)37-16-14-22-3-2-21(20-35)18-31(22)37;33-23-7-1-19-13-15-35(29(19)17-23)27-11-5-21-4-10-26-28(12-6-22-3-9-25(27)31(21)32(22)26)36-16-14-20-2-8-24(34)18-30(20)36/h2-20,23H,21-22H2;1-7,9-10,12-23H,8,11,24H2;2-21,24H,22-23H2;1-21H,22-23H2;1-8,10,12-24H,9,11,25H2;1-22H,23-24H2;2-13,18-19H,14-17H2;1-12,17-18H,13-16H2 |
| InChIKey | GKGVHCWLTAKIKC-UHFFFAOYSA-N |
| XLogP | 76.63 |
| TPSA | 160.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4031.93 |
| LogP ≤ 5 | 76.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |