C139H165Cl6F6N30O12P21 — CID 159345690
bis(phosphanyl)phosphane;bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclopentyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxolan-3-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;diphosphanyl-bis(phosphanyl)phosphane;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane (PubChem CID 159345690) has the molecular formula C139H165Cl6F6N30O12P21 and a molecular weight of 3425.21 g/mol. Its IUPAC name is bis(phosphanyl)phosphane;bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclopentyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxolan-3-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;diphosphanyl-bis(phosphanyl)phosphane;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane.
| Compound Name | bis(phosphanyl)phosphane;bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclopentyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxolan-3-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;diphosphanyl-bis(phosphanyl)phosphane;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane |
|---|---|
| PubChem CID | 159345690 |
| Molecular Formula | C139H165Cl6F6N30O12P21 |
| Molecular Weight | 3425.21 g/mol |
| Exact Mass | 3420.57 |
| IUPAC Name | bis(phosphanyl)phosphane;bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(3-hydroxycyclopentyl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(2-hydroxyethylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-(oxolan-3-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone;diphosphanyl-bis(phosphanyl)phosphane;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane |
| SMILES | CC(CO)Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)n1.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CCC(O)C4)n3)cc(F)c21.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CCC(O)CC4)n3)cc(F)c21.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CCOC4)n3)cc(F)c21.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NC4CCOCC4)n3)cc(F)c21.O=C(Cc1cccnc1Cl)N1CCc2cc(-c3ccnc(NCCO)n3)cc(F)c21.P.PP.PP(P)P.PP(P)P(P)P.PPP.PPP(P)P |
| InChI | InChI=1S/C25H25ClFN5O2.2C24H23ClFN5O2.C23H21ClFN5O2.C22H21ClFN5O2.C21H19ClFN5O2.H8P6.H7P5.H6P4.H5P3.H4P2.H3P/c26-24-16(2-1-9-28-24)14-22(34)32-11-8-15-12-17(13-20(27)23(15)32)21-7-10-29-25(31-21)30-18-3-5-19(33)6-4-18;25-23-16(2-1-7-27-23)14-21(32)31-9-4-15-12-17(13-19(26)22(15)31)20-3-8-28-24(30-20)29-18-5-10-33-11-6-18;25-23-15(2-1-7-27-23)12-21(33)31-9-6-14-10-16(11-19(26)22(14)31)20-5-8-28-24(30-20)29-17-3-4-18(32)13-17;24-22-15(2-1-6-26-22)12-20(31)30-8-4-14-10-16(11-18(25)21(14)30)19-3-7-27-23(29-19)28-17-5-9-32-13-17;1-13(12-30)27-22-26-7-4-18(28-22)16-9-14-5-8-29(20(14)17(24)10-16)19(31)11-15-3-2-6-25-21(15)23;22-20-14(2-1-5-24-20)12-18(30)28-8-4-13-10-15(11-16(23)19(13)28)17-3-6-25-21(27-17)26-7-9-29;1-5(2)6(3)4;1-4-5(2)3;1-4(2)3;1-3-2;1-2;/h1-2,7,9-10,12-13,18-19,33H,3-6,8,11,14H2,(H,29,30,31);1-3,7-8,12-13,18H,4-6,9-11,14H2,(H,28,29,30);1-2,5,7-8,10-11,17-18,32H,3-4,6,9,12-13H2,(H,28,29,30);1-3,6-7,10-11,17H,4-5,8-9,12-13H2,(H,27,28,29);2-4,6-7,9-10,13,30H,5,8,11-12H2,1H3,(H,26,27,28);1-3,5-6,10-11,29H,4,7-9,12H2,(H,25,26,27);1-4H2;4H,1-3H2;1-3H2;3H,1-2H2;1-2H2;1H3 |
| InChIKey | LGRRYFCYQJLHPY-UHFFFAOYSA-N |
| XLogP | 31.06 |
| TPSA | 525.44 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 214 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3425.21 |
| LogP ≤ 5 | 31.06 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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