magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride

C266H268Cl5MgN26NaO17SSi2 — CID 158259609

IUPACmagnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(CCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1.O=Cc1cc2ccccc2c2ccccc12.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cc4ccccc4c4ccccc34)c2)c1.[Cl-].[Mg+2].[Na+].[OH-]
InChIInChI=1S/C40H38N2O.C39H37N3O.C38H32N4O.C38H36N4O.C33H24N4O2.C21H17NO.C15H10O.C12H9N3O2.C12H22NSi2.C10H18O5.C4H13N3.C4H9N.Cl2OS.3ClH.Mg.Na.H2O/c1-3-28-10-9-14-33(24-28)42-39(22-27(2)41-42)40(43)25-30-11-8-13-31(23-30)35(21-20-29-18-19-29)38-26-32-12-4-5-15-34(32)36-16-6-7-17-37(36)38;1-3-27-10-9-14-32(22-27)42-37(20-26(2)41-42)38(43)23-29-11-8-13-31(21-29)39(40-25-28-18-19-28)36-24-30-12-4-5-15-33(30)34-16-6-7-17-35(34)36;1-25-19-36(42(41-25)31-13-8-12-30(23-31)39-2)37(43)21-27-9-7-11-29(20-27)38(40-24-26-17-18-26)35-22-28-10-3-4-14-32(28)33-15-5-6-16-34(33)35;1-25-18-36(42(41-25)31-12-7-9-28(20-31)23-39)37(43)21-27-8-6-11-30(19-27)38(40-24-26-16-17-26)35-22-29-10-2-3-13-32(29)33-14-4-5-15-34(33)35;1-21-17-31(37(36-21)26-13-8-11-24(20-26)34-2)33(39)35-25-12-7-10-23(18-25)32(38)30-19-22-9-3-4-14-27(22)28-15-5-6-16-29(28)30;22-16-8-5-7-15(12-16)21(23)20-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20;16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;;;;/h4-17,22-24,26,29,35H,3,18-21,25H2,1-2H3;4-17,20-22,24,28,39-40H,3,18-19,23,25H2,1-2H3;3-16,19-20,22-23,26,38,40H,17-18,21,24H2,1H3;2-15,18-20,22,26,38,40H,16-17,21,23-24,39H2,1H3;3-20,32,38H,1H3,(H,35,39);1-13,21,23H,22H2;1-10H;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;7H,1-6H2;4H,1-3,5H2;;3*1H;;;1H2/q;;;;;;;;-1;;;;;;;;+2;+1;/p-2
InChIKeyRQNXYOVFDYNJFF-UHFFFAOYSA-L
MW4414.03 g/mol
LogP52.98
Rot. Bonds57

About magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride

magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride (PubChem CID 158259609) has the molecular formula C266H268Cl5MgN26NaO17SSi2 and a molecular weight of 4414.03 g/mol. Its IUPAC name is magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride.

Molecular Properties

Compound Namemagnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
PubChem CID158259609
Molecular FormulaC266H268Cl5MgN26NaO17SSi2
Molecular Weight4414.03 g/mol
Exact Mass4407.84
IUPAC Namemagnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(CCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1.O=Cc1cc2ccccc2c2ccccc12.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cc4ccccc4c4ccccc34)c2)c1.[Cl-].[Mg+2].[Na+].[OH-]
InChIInChI=1S/C40H38N2O.C39H37N3O.C38H32N4O.C38H36N4O.C33H24N4O2.C21H17NO.C15H10O.C12H9N3O2.C12H22NSi2.C10H18O5.C4H13N3.C4H9N.Cl2OS.3ClH.Mg.Na.H2O/c1-3-28-10-9-14-33(24-28)42-39(22-27(2)41-42)40(43)25-30-11-8-13-31(23-30)35(21-20-29-18-19-29)38-26-32-12-4-5-15-34(32)36-16-6-7-17-37(36)38;1-3-27-10-9-14-32(22-27)42-37(20-26(2)41-42)38(43)23-29-11-8-13-31(21-29)39(40-25-28-18-19-28)36-24-30-12-4-5-15-33(30)34-16-6-7-17-35(34)36;1-25-19-36(42(41-25)31-13-8-12-30(23-31)39-2)37(43)21-27-9-7-11-29(20-27)38(40-24-26-17-18-26)35-22-28-10-3-4-14-32(28)33-15-5-6-16-34(33)35;1-25-18-36(42(41-25)31-12-7-9-28(20-31)23-39)37(43)21-27-8-6-11-30(19-27)38(40-24-26-16-17-26)35-22-29-10-2-3-13-32(29)33-14-4-5-15-34(33)35;1-21-17-31(37(36-21)26-13-8-11-24(20-26)34-2)33(39)35-25-12-7-10-23(18-25)32(38)30-19-22-9-3-4-14-27(22)28-15-5-6-16-29(28)30;22-16-8-5-7-15(12-16)21(23)20-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20;16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;;;;/h4-17,22-24,26,29,35H,3,18-21,25H2,1-2H3;4-17,20-22,24,28,39-40H,3,18-19,23,25H2,1-2H3;3-16,19-20,22-23,26,38,40H,17-18,21,24H2,1H3;2-15,18-20,22,26,38,40H,16-17,21,23-24,39H2,1H3;3-20,32,38H,1H3,(H,35,39);1-13,21,23H,22H2;1-10H;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;7H,1-6H2;4H,1-3,5H2;;3*1H;;;1H2/q;;;;;;;;-1;;;;;;;;+2;+1;/p-2
InChIKeyRQNXYOVFDYNJFF-UHFFFAOYSA-L
XLogP52.98
TPSA622.00 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004414.03
LogP ≤ 552.98
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride with MolForge

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Related Compounds

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride
CID 162221336
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride
CID 159138302
magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(4-methoxynaphthalen-1-yl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[5-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-methoxynaphthalen-1-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methoxynaphthalene-1-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
CID 161228029
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;[4-[(3-aminophenyl)-hydroxymethyl]phenyl]methanesulfinate;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(4-methylsulfonylphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-methylsulfonylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;(4-formylphenyl)methanesulfinate;N-[3-[hydroxy-(4-methylsulfonylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride;hydrochloride
CID 157216383
CID 160578652
CID 160578652
magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride
CID 158479981
magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride
CID 160717077
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride
CID 157436341
CID 161304596
CID 161304596
bis(N'-(2-aminoethyl)ethane-1,2-diamine);(3-aminophenyl)-(4-methoxyphenyl)methanol;anisole;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-(4-methoxyphenyl)methyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;(4-methoxyphenyl)-(3-nitrophenyl)methanone;3-nitrobenzoic acid;thionyl dichloride;trichloroalumane
CID 159602105
N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]ethanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;hydrochloride
CID 158422689
N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;N-[3-[N-(2-cyclopropylethyl)anilino]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-N-(2-cyclopropylethyl)-3-N-phenylbenzene-1,3-diamine;methane
CID 157420355

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride?
The IUPAC name of magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride (CID 158259609) is magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride.
What is the SMILES notation for magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride?
The canonical SMILES for magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(CCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.CCc1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2cc3ccccc3c3ccccc23)c1.O=Cc1cc2ccccc2c2ccccc12.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Cc2cccc(C(NCC3CC3)c3cc4ccccc4c4ccccc34)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cc4ccccc4c4ccccc34)c2)c1.[Cl-].[Mg+2].[Na+].[OH-].
What is the InChIKey of magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride?
The InChIKey is RQNXYOVFDYNJFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C40H38N2O.C39H37N3O.C38H32N4O.C38H36N4O.C33H24N4O2.C21H17NO.C15H10O.C12H9N3O2.C12H22NSi2.C10H18O5.C4H13N3.C4H9N.Cl2OS.3ClH.Mg.Na.H2O/c1-3-28-10-9-14-33(24-28)42-39(22-27(2)41-42)40(43)25-30-11-8-13-31(23-30)35(21-20-29-18-19-29)38-26-32-12-4-5-15-34(32)36-16-6-7-17-37(36)38;1-3-27-10-9-14-32(22-27)42-37(20-26(2)41-42)38(43)23-29-11-8-13-31(21-29)39(40-25-28-18-19-28)36-24-30-12-4-5-15-33(30)34-16-6-7-17-35(34)36;1-25-19-36(42(41-25)31-13-8-12-30(23-31)39-2)37(43)21-27-9-7-11-29(20-27)38(40-24-26-17-18-26)35-22-28-10-3-4-14-32(28)33-15-5-6-16-34(33)35;1-25-18-36(42(41-25)31-12-7-9-28(20-31)23-39)37(43)21-27-8-6-11-30(19-27)38(40-24-26-16-17-26)35-22-29-10-2-3-13-32(29)33-14-4-5-15-34(33)35;1-21-17-31(37(36-21)26-13-8-11-24(20-26)34-2)33(39)35-25-12-7-10-23(18-25)32(38)30-19-22-9-3-4-14-27(22)28-15-5-6-16-29(28)30;22-16-8-5-7-15(12-16)21(23)20-13-14-6-1-2-9-17(14)18-10-3-4-11-19(18)20;16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;;;;/h4-17,22-24,26,29,35H,3,18-21,25H2,1-2H3;4-17,20-22,24,28,39-40H,3,18-19,23,25H2,1-2H3;3-16,19-20,22-23,26,38,40H,17-18,21,24H2,1H3;2-15,18-20,22,26,38,40H,16-17,21,23-24,39H2,1H3;3-20,32,38H,1H3,(H,35,39);1-13,21,23H,22H2;1-10H;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;7H,1-6H2;4H,1-3,5H2;;3*1H;;;1H2/q;;;;;;;;-1;;;;;;;;+2;+1;/p-2.
What are the key properties of magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride?
magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride has a molecular weight of 4414.03 g/mol, XLogP of 52.98, 57 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride is sourced from PubChem (CID 158259609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).