3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

C230H288N22O42P6 — CID 159583914

IUPAC3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
SMILESCOc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(CCn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2cc(C)c(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C41H51N4O8P.C40H49N4O8P.2C39H49N4O7P.C38H47N4O7P.C33H43N2O5P/c1-28(2)45(29(3)4)54(51-24-12-23-42)53-36-25-38(44-26-30(5)39(46)43(6)40(44)47)52-37(36)27-50-41(31-13-10-9-11-14-31,32-15-19-34(48-7)20-16-32)33-17-21-35(49-8)22-18-33;1-28(2)44(29(3)4)53(50-25-11-23-41)52-35-26-38(43-24-22-37(45)42(5)39(43)46)51-36(35)27-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32;1-28(2)43(29(3)4)51(49-24-12-23-40)50-36(26-42-25-30(5)37(44)41(6)38(42)45)27-48-39(31-13-10-9-11-14-31,32-15-19-34(46-7)20-16-32)33-17-21-35(47-8)22-18-33;1-29(2)43(30(3)4)51(49-27-11-24-40)50-36(22-25-42-26-23-37(44)41(5)38(42)45)28-48-39(31-12-9-8-10-13-31,32-14-18-34(46-6)19-15-32)33-16-20-35(47-7)21-17-33;1-28(2)42(29(3)4)50(48-25-11-23-39)49-35(26-41-24-22-36(43)40(5)37(41)44)27-47-38(30-12-9-8-10-13-30,31-14-18-33(45-6)19-15-31)32-16-20-34(46-7)21-17-32;1-25(2)35(26(3)4)41(39-23-11-22-34)40-27(5)24-38-33(28-12-9-8-10-13-28,29-14-18-31(36-6)19-15-29)30-16-20-32(37-7)21-17-30/h9-11,13-22,26,28-29,36-38H,12,24-25,27H2,1-8H3;8-10,12-22,24,28-29,35-36,38H,11,25-27H2,1-7H3;9-11,13-22,25,28-29,36H,12,24,26-27H2,1-8H3;8-10,12-21,23,26,29-30,36H,11,22,25,27-28H2,1-7H3;8-10,12-22,24,28-29,35H,11,25-27H2,1-7H3;8-10,12-21,25-27H,11,23-24H2,1-7H3/t36?,37-,38-,54?;35?,36-,38-,53?;;;;/m11..../s1
InChIKeyMJJGNZJBXCAAAD-AVHMJPAWSA-N
MW4218.79 g/mol
LogP40.45
Rot. Bonds105

About 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (PubChem CID 159583914) has the molecular formula C230H288N22O42P6 and a molecular weight of 4218.79 g/mol. Its IUPAC name is 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.

Molecular Properties

Compound Name3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
PubChem CID159583914
Molecular FormulaC230H288N22O42P6
Molecular Weight4218.79 g/mol
Exact Mass4215.95
IUPAC Name3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
SMILESCOc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(CCn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2cc(C)c(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C41H51N4O8P.C40H49N4O8P.2C39H49N4O7P.C38H47N4O7P.C33H43N2O5P/c1-28(2)45(29(3)4)54(51-24-12-23-42)53-36-25-38(44-26-30(5)39(46)43(6)40(44)47)52-37(36)27-50-41(31-13-10-9-11-14-31,32-15-19-34(48-7)20-16-32)33-17-21-35(49-8)22-18-33;1-28(2)44(29(3)4)53(50-25-11-23-41)52-35-26-38(43-24-22-37(45)42(5)39(43)46)51-36(35)27-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32;1-28(2)43(29(3)4)51(49-24-12-23-40)50-36(26-42-25-30(5)37(44)41(6)38(42)45)27-48-39(31-13-10-9-11-14-31,32-15-19-34(46-7)20-16-32)33-17-21-35(47-8)22-18-33;1-29(2)43(30(3)4)51(49-27-11-24-40)50-36(22-25-42-26-23-37(44)41(5)38(42)45)28-48-39(31-12-9-8-10-13-31,32-14-18-34(46-6)19-15-32)33-16-20-35(47-7)21-17-33;1-28(2)42(29(3)4)50(48-25-11-23-39)49-35(26-41-24-22-36(43)40(5)37(41)44)27-47-38(30-12-9-8-10-13-30,31-14-18-33(45-6)19-15-31)32-16-20-34(46-7)21-17-32;1-25(2)35(26(3)4)41(39-23-11-22-34)40-27(5)24-38-33(28-12-9-8-10-13-28,29-14-18-31(36-6)19-15-29)30-16-20-32(37-7)21-17-30/h9-11,13-22,26,28-29,36-38H,12,24-25,27H2,1-8H3;8-10,12-22,24,28-29,35-36,38H,11,25-27H2,1-7H3;9-11,13-22,25,28-29,36H,12,24,26-27H2,1-8H3;8-10,12-21,23,26,29-30,36H,11,22,25,27-28H2,1-7H3;8-10,12-22,24,28-29,35H,11,25-27H2,1-7H3;8-10,12-21,25-27H,11,23-24H2,1-7H3/t36?,37-,38-,54?;35?,36-,38-,53?;;;;/m11..../s1
InChIKeyMJJGNZJBXCAAAD-AVHMJPAWSA-N
XLogP40.45
TPSA677.54 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds105
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004218.79
LogP ≤ 540.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Analyze 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile with MolForge

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Related Compounds

3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 160965500
3-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 165366902
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-methyl-2,4-dioxo-3-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 102106640
3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-oxo-3-(2-oxopropyl)imidazo[1,2-c]pyrimidin-6-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 58602269
3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,3-dihydropyrrol-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 118491518
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-oxo-4-(6-pyridin-2-yl-2-pyridinyl)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 101453356
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-methyl-2-(2-methylpropylamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 136918756
N-[7-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 162237791
3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-octa-1,7-diynyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 75534954
ethyl 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
CID 10724056
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[4-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]butylamino]-2-oxopyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 44613833
3-[[di(propan-2-yl)amino]-[2-[[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethoxy]methyl]-5-[5-(1-methyltriazol-4-yl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 160568665

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The IUPAC name of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (CID 159583914) is 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.
What is the SMILES notation for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The canonical SMILES for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is COc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(CCn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2cc(C)c(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2ccc(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C)c3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
The InChIKey is MJJGNZJBXCAAAD-AVHMJPAWSA-N. The full InChI is InChI=1S/C41H51N4O8P.C40H49N4O8P.2C39H49N4O7P.C38H47N4O7P.C33H43N2O5P/c1-28(2)45(29(3)4)54(51-24-12-23-42)53-36-25-38(44-26-30(5)39(46)43(6)40(44)47)52-37(36)27-50-41(31-13-10-9-11-14-31,32-15-19-34(48-7)20-16-32)33-17-21-35(49-8)22-18-33;1-28(2)44(29(3)4)53(50-25-11-23-41)52-35-26-38(43-24-22-37(45)42(5)39(43)46)51-36(35)27-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32;1-28(2)43(29(3)4)51(49-24-12-23-40)50-36(26-42-25-30(5)37(44)41(6)38(42)45)27-48-39(31-13-10-9-11-14-31,32-15-19-34(46-7)20-16-32)33-17-21-35(47-8)22-18-33;1-29(2)43(30(3)4)51(49-27-11-24-40)50-36(22-25-42-26-23-37(44)41(5)38(42)45)28-48-39(31-12-9-8-10-13-31,32-14-18-34(46-6)19-15-32)33-16-20-35(47-7)21-17-33;1-28(2)42(29(3)4)50(48-25-11-23-39)49-35(26-41-24-22-36(43)40(5)37(41)44)27-47-38(30-12-9-8-10-13-30,31-14-18-33(45-6)19-15-31)32-16-20-34(46-7)21-17-32;1-25(2)35(26(3)4)41(39-23-11-22-34)40-27(5)24-38-33(28-12-9-8-10-13-28,29-14-18-31(36-6)19-15-29)30-16-20-32(37-7)21-17-30/h9-11,13-22,26,28-29,36-38H,12,24-25,27H2,1-8H3;8-10,12-22,24,28-29,35-36,38H,11,25-27H2,1-7H3;9-11,13-22,25,28-29,36H,12,24,26-27H2,1-8H3;8-10,12-21,23,26,29-30,36H,11,22,25,27-28H2,1-7H3;8-10,12-22,24,28-29,35H,11,25-27H2,1-7H3;8-10,12-21,25-27H,11,23-24H2,1-7H3/t36?,37-,38-,54?;35?,36-,38-,53?;;;;/m11..../s1.
What are the key properties of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?
3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile has a molecular weight of 4218.79 g/mol, XLogP of 40.45, 105 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-4-(3-methyl-2,4-dioxopyrimidin-1-yl)butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is sourced from PubChem (CID 159583914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).