acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite

C192H283Br3F3N4O43P9Si5 — CID 157164425

IUPACacetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
SMILESBrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C34H45FNO5PSi.C33H46O5P2Si.C28H33FNO5P.C19H14FNO.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-8-39-42(38,40-9-2)23-28(41-43(6,7)34(3,4)5)22-27(37)20-21-30-32(24-16-18-26(35)19-17-24)29-12-10-11-13-31(29)36-33(30)25-14-15-25;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-3-34-36(33,35-4-2)18-23(32)17-22(31)15-16-25-27(19-11-13-21(29)14-12-19)24-7-5-6-8-26(24)30-28(25)20-9-10-20;20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h10-13,16-21,25,28H,8-9,14-15,22-23H2,1-7H3;10-24,26,29H,8-9,25,27H2,1-7H3;5-8,11-16,20,22-23,31-32H,3-4,9-10,17-18H2,1-2H3;1-4,7-11,13H,5-6H2;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b21-20+;;16-15+;;;;11-9-;;;;;;;;;/t28-;29-;22-,23-;;;12-;;8-;;;;;;;;/m111..0.1......../s1
InChIKeyAMSYJFHZKPRRLD-MLLBQRGQSA-N
MW4051.26 g/mol
LogP48.73
Rot. Bonds87

About acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite

acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite (PubChem CID 157164425) has the molecular formula C192H283Br3F3N4O43P9Si5 and a molecular weight of 4051.26 g/mol. Its IUPAC name is acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite.

Molecular Properties

Compound Nameacetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
PubChem CID157164425
Molecular FormulaC192H283Br3F3N4O43P9Si5
Molecular Weight4051.26 g/mol
Exact Mass4045.41
IUPAC Nameacetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
SMILESBrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C34H45FNO5PSi.C33H46O5P2Si.C28H33FNO5P.C19H14FNO.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-8-39-42(38,40-9-2)23-28(41-43(6,7)34(3,4)5)22-27(37)20-21-30-32(24-16-18-26(35)19-17-24)29-12-10-11-13-31(29)36-33(30)25-14-15-25;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-3-34-36(33,35-4-2)18-23(32)17-22(31)15-16-25-27(19-11-13-21(29)14-12-19)24-7-5-6-8-26(24)30-28(25)20-9-10-20;20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h10-13,16-21,25,28H,8-9,14-15,22-23H2,1-7H3;10-24,26,29H,8-9,25,27H2,1-7H3;5-8,11-16,20,22-23,31-32H,3-4,9-10,17-18H2,1-2H3;1-4,7-11,13H,5-6H2;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b21-20+;;16-15+;;;;11-9-;;;;;;;;;/t28-;29-;22-,23-;;;12-;;8-;;;;;;;;/m111..0.1......../s1
InChIKeyAMSYJFHZKPRRLD-MLLBQRGQSA-N
XLogP48.73
TPSA620.95 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds87
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004051.26
LogP ≤ 548.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The IUPAC name of acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite (CID 157164425) is acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite.
What is the SMILES notation for acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The canonical SMILES for acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite is BrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The InChIKey is AMSYJFHZKPRRLD-MLLBQRGQSA-N. The full InChI is InChI=1S/C34H45FNO5PSi.C33H46O5P2Si.C28H33FNO5P.C19H14FNO.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-8-39-42(38,40-9-2)23-28(41-43(6,7)34(3,4)5)22-27(37)20-21-30-32(24-16-18-26(35)19-17-24)29-12-10-11-13-31(29)36-33(30)25-14-15-25;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-3-34-36(33,35-4-2)18-23(32)17-22(31)15-16-25-27(19-11-13-21(29)14-12-19)24-7-5-6-8-26(24)30-28(25)20-9-10-20;20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h10-13,16-21,25,28H,8-9,14-15,22-23H2,1-7H3;10-24,26,29H,8-9,25,27H2,1-7H3;5-8,11-16,20,22-23,31-32H,3-4,9-10,17-18H2,1-2H3;1-4,7-11,13H,5-6H2;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b21-20+;;16-15+;;;;11-9-;;;;;;;;;/t28-;29-;22-,23-;;;12-;;8-;;;;;;;;/m111..0.1......../s1.
What are the key properties of acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite has a molecular weight of 4051.26 g/mol, XLogP of 48.73, 87 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-6-diethoxyphosphorylhex-1-en-3-one;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde;(E,2R,4S)-6-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1-diethoxyphosphorylhex-5-ene-2,4-diol;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite is sourced from PubChem (CID 157164425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).