[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one

C172H192N5O22PS4 — CID 159515458

IUPAC[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one
SMILESC=CCOC(OCC=C)(C(=O)c1ccccc1)c1ccccc1.CC(C)(C(=O)c1ccc(CO)cc1)N1CCOCC1.CC(C)(C(=O)c1ccc(CS)cc1)N1CCOCC1.CCC(=O)c1ccc(CS)cc1.CCOOCC(O)(C(=O)c1ccccc1)c1ccccc1.CN(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)C)cc3)cc2)cc1.Cc1cc(C)c(C(=O)P(=S)(c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc(C(=O)C(C)(C)O)cc1.O=C(c1ccc(CS)cc1)C1(N2CCOCC2)CCCCC1.O=C(c1ccccc1)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2.C22H21OPS.C20H20O3.C20H16O2.C18H25NO2S.C17H18O4.C15H21NO3.C15H21NO2S.C11H14O2.C10H12OS/c1-25(2)21-13-9-19(10-14-21)23(27)17-5-7-18(8-6-17)24(28)20-11-15-22(16-12-20)26(3)4;1-16-14-17(2)21(18(3)15-16)22(23)24(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-15-22-20(23-16-4-2,18-13-9-6-10-14-18)19(21)17-11-7-5-8-12-17;21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;20-17(16-6-4-15(14-22)5-7-16)18(8-2-1-3-9-18)19-10-12-21-13-11-19;1-2-20-21-13-17(19,15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-15(2,16-7-9-19-10-8-16)14(18)13-5-3-12(11-17)4-6-13;1-15(2,16-7-9-18-10-8-16)14(17)13-5-3-12(11-19)4-6-13;1-8-4-6-9(7-5-8)10(12)11(2,3)13;1-2-10(11)9-5-3-8(7-12)4-6-9/h5-16H,1-4H3;4-15H,1-3H3;3-14H,1-2,15-16H2;1-15,20H;4-7,22H,1-3,8-14H2;3-12,19H,2,13H2,1H3;3-6,17H,7-11H2,1-2H3;3-6,19H,7-11H2,1-2H3;4-7,13H,1-3H3;3-6,12H,2,7H2,1H3
InChIKeyMBDDVERDKIQKRK-UHFFFAOYSA-N
MW2840.68 g/mol
LogP32.58
Rot. Bonds48

About [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one

[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one (PubChem CID 159515458) has the molecular formula C172H192N5O22PS4 and a molecular weight of 2840.68 g/mol. Its IUPAC name is [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one
PubChem CID159515458
Molecular FormulaC172H192N5O22PS4
Molecular Weight2840.68 g/mol
Exact Mass2838.27
IUPAC Name[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one
SMILESC=CCOC(OCC=C)(C(=O)c1ccccc1)c1ccccc1.CC(C)(C(=O)c1ccc(CO)cc1)N1CCOCC1.CC(C)(C(=O)c1ccc(CS)cc1)N1CCOCC1.CCC(=O)c1ccc(CS)cc1.CCOOCC(O)(C(=O)c1ccccc1)c1ccccc1.CN(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)C)cc3)cc2)cc1.Cc1cc(C)c(C(=O)P(=S)(c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc(C(=O)C(C)(C)O)cc1.O=C(c1ccc(CS)cc1)C1(N2CCOCC2)CCCCC1.O=C(c1ccccc1)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2.C22H21OPS.C20H20O3.C20H16O2.C18H25NO2S.C17H18O4.C15H21NO3.C15H21NO2S.C11H14O2.C10H12OS/c1-25(2)21-13-9-19(10-14-21)23(27)17-5-7-18(8-6-17)24(28)20-11-15-22(16-12-20)26(3)4;1-16-14-17(2)21(18(3)15-16)22(23)24(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-15-22-20(23-16-4-2,18-13-9-6-10-14-18)19(21)17-11-7-5-8-12-17;21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;20-17(16-6-4-15(14-22)5-7-16)18(8-2-1-3-9-18)19-10-12-21-13-11-19;1-2-20-21-13-17(19,15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-15(2,16-7-9-19-10-8-16)14(18)13-5-3-12(11-17)4-6-13;1-15(2,16-7-9-18-10-8-16)14(17)13-5-3-12(11-19)4-6-13;1-8-4-6-9(7-5-8)10(12)11(2,3)13;1-2-10(11)9-5-3-8(7-12)4-6-9/h5-16H,1-4H3;4-15H,1-3H3;3-14H,1-2,15-16H2;1-15,20H;4-7,22H,1-3,8-14H2;3-12,19H,2,13H2,1H3;3-6,17H,7-11H2,1-2H3;3-6,19H,7-11H2,1-2H3;4-7,13H,1-3H3;3-6,12H,2,7H2,1H3
InChIKeyMBDDVERDKIQKRK-UHFFFAOYSA-N
XLogP32.58
TPSA338.50 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002840.68
LogP ≤ 532.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one?
The IUPAC name of [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one (CID 159515458) is [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one.
What is the SMILES notation for [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one?
The canonical SMILES for [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one is C=CCOC(OCC=C)(C(=O)c1ccccc1)c1ccccc1.CC(C)(C(=O)c1ccc(CO)cc1)N1CCOCC1.CC(C)(C(=O)c1ccc(CS)cc1)N1CCOCC1.CCC(=O)c1ccc(CS)cc1.CCOOCC(O)(C(=O)c1ccccc1)c1ccccc1.CN(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(N(C)C)cc3)cc2)cc1.Cc1cc(C)c(C(=O)P(=S)(c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc(C(=O)C(C)(C)O)cc1.O=C(c1ccc(CS)cc1)C1(N2CCOCC2)CCCCC1.O=C(c1ccccc1)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one?
The InChIKey is MBDDVERDKIQKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C22H21OPS.C20H20O3.C20H16O2.C18H25NO2S.C17H18O4.C15H21NO3.C15H21NO2S.C11H14O2.C10H12OS/c1-25(2)21-13-9-19(10-14-21)23(27)17-5-7-18(8-6-17)24(28)20-11-15-22(16-12-20)26(3)4;1-16-14-17(2)21(18(3)15-16)22(23)24(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-15-22-20(23-16-4-2,18-13-9-6-10-14-18)19(21)17-11-7-5-8-12-17;21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;20-17(16-6-4-15(14-22)5-7-16)18(8-2-1-3-9-18)19-10-12-21-13-11-19;1-2-20-21-13-17(19,15-11-7-4-8-12-15)16(18)14-9-5-3-6-10-14;1-15(2,16-7-9-19-10-8-16)14(18)13-5-3-12(11-17)4-6-13;1-15(2,16-7-9-18-10-8-16)14(17)13-5-3-12(11-19)4-6-13;1-8-4-6-9(7-5-8)10(12)11(2,3)13;1-2-10(11)9-5-3-8(7-12)4-6-9/h5-16H,1-4H3;4-15H,1-3H3;3-14H,1-2,15-16H2;1-15,20H;4-7,22H,1-3,8-14H2;3-12,19H,2,13H2,1H3;3-6,17H,7-11H2,1-2H3;3-6,19H,7-11H2,1-2H3;4-7,13H,1-3H3;3-6,12H,2,7H2,1H3.
What are the key properties of [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one?
[4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one has a molecular weight of 2840.68 g/mol, XLogP of 32.58, 48 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)benzoyl]phenyl]-[4-(dimethylamino)phenyl]methanone;1,2-diphenyl-2,2-bis(prop-2-enoxy)ethanone;diphenylphosphinothioyl-(2,4,6-trimethylphenyl)methanone;3-ethylperoxy-2-hydroxy-1,2-diphenylpropan-1-one;2-hydroxy-2-methyl-1-(4-methylphenyl)propan-1-one;1-[4-(hydroxymethyl)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-2-morpholin-4-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one;(1-morpholin-4-ylcyclohexyl)-[4-(sulfanylmethyl)phenyl]methanone;2-phenoxy-1,2-diphenylethanone;1-[4-(sulfanylmethyl)phenyl]propan-1-one is sourced from PubChem (CID 159515458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).