(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide

C175H186N14O25S7Si4 — CID 159727469

IUPAC(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide
SMILESCC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(\C#N)C(=O)NCCCCCCCCCCC(=O)O)s4)s2)c(=O)oc31.CCO[Si](OCC)(OCC)c1ccc(NC(=O)CCC(=O)/C(C#N)=C/c2sc(-c3ccc4c(c3)c3ccccc3n4CC)cc2C)cc1.CCn1c2ccccc2c2cc(-c3cc(C)c(/C=C(\C#N)C(=O)CCC(=O)Nc4ccc([Si](OC)(OC)OC)cc4)s3)ccc21.CO[Si](OC)(OC)c1ccc(NC(=O)CN2C(=O)C(C3S/C(=C/c4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)C(=O)N3CC(=O)Nc3ccc([Si](OC)(OC)OC)cc3)SC2=S)cc1
InChIInChI=1S/C60H61N5O10S3Si2.C42H49N3O5S2.C38H41N3O5SSi.C35H35N3O5SSi/c1-70-79(71-2,72-3)46-29-23-43(24-30-46)61-54(66)37-63-57(68)53(77-59(63)56-58(69)64(60(76)78-56)38-55(67)62-44-25-31-47(32-26-44)80(73-4,74-5)75-6)36-40-22-33-52-50(35-40)48-18-13-19-51(48)65(52)45-27-20-39(21-28-45)34-49(41-14-9-7-10-15-41)42-16-11-8-12-17-42;1-41(2)18-21-45-22-19-42(3,4)36-37(45)31(41)25-27-24-30(40(49)50-38(27)36)32-16-17-34(52-32)33-15-14-29(51-33)23-28(26-43)39(48)44-20-12-10-8-6-5-7-9-11-13-35(46)47;1-6-41-33-13-11-10-12-31(33)32-23-27(14-19-34(32)41)37-22-26(5)36(47-37)24-28(25-39)35(42)20-21-38(43)40-29-15-17-30(18-16-29)48(44-7-2,45-8-3)46-9-4;1-6-38-30-10-8-7-9-28(30)29-20-24(11-16-31(29)38)34-19-23(2)33(44-34)21-25(22-36)32(39)17-18-35(40)37-26-12-14-27(15-13-26)45(41-3,42-4)43-5/h7-12,14-17,20-36,48,51,56,59H,13,18-19,37-38H2,1-6H3,(H,61,66)(H,62,67);14-17,23-25H,5-13,18-22H2,1-4H3,(H,44,48)(H,46,47);10-19,22-24H,6-9,20-21H2,1-5H3,(H,40,43);7-16,19-21H,6,17-18H2,1-5H3,(H,37,40)/b53-36+;28-23+;28-24+;25-21+
InChIKeyNAUWXFKJNLMBMP-MHGIUFPGSA-N
MW3222.30 g/mol
LogP33.85
Rot. Bonds62

About (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide

(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide (PubChem CID 159727469) has the molecular formula C175H186N14O25S7Si4 and a molecular weight of 3222.30 g/mol. Its IUPAC name is (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide.

Molecular Properties

Compound Name(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide
PubChem CID159727469
Molecular FormulaC175H186N14O25S7Si4
Molecular Weight3222.30 g/mol
Exact Mass3219.08
IUPAC Name(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide
SMILESCC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(\C#N)C(=O)NCCCCCCCCCCC(=O)O)s4)s2)c(=O)oc31.CCO[Si](OCC)(OCC)c1ccc(NC(=O)CCC(=O)/C(C#N)=C/c2sc(-c3ccc4c(c3)c3ccccc3n4CC)cc2C)cc1.CCn1c2ccccc2c2cc(-c3cc(C)c(/C=C(\C#N)C(=O)CCC(=O)Nc4ccc([Si](OC)(OC)OC)cc4)s3)ccc21.CO[Si](OC)(OC)c1ccc(NC(=O)CN2C(=O)C(C3S/C(=C/c4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)C(=O)N3CC(=O)Nc3ccc([Si](OC)(OC)OC)cc3)SC2=S)cc1
InChIInChI=1S/C60H61N5O10S3Si2.C42H49N3O5S2.C38H41N3O5SSi.C35H35N3O5SSi/c1-70-79(71-2,72-3)46-29-23-43(24-30-46)61-54(66)37-63-57(68)53(77-59(63)56-58(69)64(60(76)78-56)38-55(67)62-44-25-31-47(32-26-44)80(73-4,74-5)75-6)36-40-22-33-52-50(35-40)48-18-13-19-51(48)65(52)45-27-20-39(21-28-45)34-49(41-14-9-7-10-15-41)42-16-11-8-12-17-42;1-41(2)18-21-45-22-19-42(3,4)36-37(45)31(41)25-27-24-30(40(49)50-38(27)36)32-16-17-34(52-32)33-15-14-29(51-33)23-28(26-43)39(48)44-20-12-10-8-6-5-7-9-11-13-35(46)47;1-6-41-33-13-11-10-12-31(33)32-23-27(14-19-34(32)41)37-22-26(5)36(47-37)24-28(25-39)35(42)20-21-38(43)40-29-15-17-30(18-16-29)48(44-7-2,45-8-3)46-9-4;1-6-38-30-10-8-7-9-28(30)29-20-24(11-16-31(29)38)34-19-23(2)33(44-34)21-25(22-36)32(39)17-18-35(40)37-26-12-14-27(15-13-26)45(41-3,42-4)43-5/h7-12,14-17,20-36,48,51,56,59H,13,18-19,37-38H2,1-6H3,(H,61,66)(H,62,67);14-17,23-25H,5-13,18-22H2,1-4H3,(H,44,48)(H,46,47);10-19,22-24H,6-9,20-21H2,1-5H3,(H,40,43);7-16,19-21H,6,17-18H2,1-5H3,(H,37,40)/b53-36+;28-23+;28-24+;25-21+
InChIKeyNAUWXFKJNLMBMP-MHGIUFPGSA-N
XLogP33.85
TPSA486.24 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds62
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003222.30
LogP ≤ 533.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide?
The IUPAC name of (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide (CID 159727469) is (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide.
What is the SMILES notation for (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide?
The canonical SMILES for (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide is CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-c4ccc(/C=C(\C#N)C(=O)NCCCCCCCCCCC(=O)O)s4)s2)c(=O)oc31.CCO[Si](OCC)(OCC)c1ccc(NC(=O)CCC(=O)/C(C#N)=C/c2sc(-c3ccc4c(c3)c3ccccc3n4CC)cc2C)cc1.CCn1c2ccccc2c2cc(-c3cc(C)c(/C=C(\C#N)C(=O)CCC(=O)Nc4ccc([Si](OC)(OC)OC)cc4)s3)ccc21.CO[Si](OC)(OC)c1ccc(NC(=O)CN2C(=O)C(C3S/C(=C/c4ccc5c(c4)C4CCCC4N5c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)C(=O)N3CC(=O)Nc3ccc([Si](OC)(OC)OC)cc3)SC2=S)cc1.
What is the InChIKey of (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide?
The InChIKey is NAUWXFKJNLMBMP-MHGIUFPGSA-N. The full InChI is InChI=1S/C60H61N5O10S3Si2.C42H49N3O5S2.C38H41N3O5SSi.C35H35N3O5SSi/c1-70-79(71-2,72-3)46-29-23-43(24-30-46)61-54(66)37-63-57(68)53(77-59(63)56-58(69)64(60(76)78-56)38-55(67)62-44-25-31-47(32-26-44)80(73-4,74-5)75-6)36-40-22-33-52-50(35-40)48-18-13-19-51(48)65(52)45-27-20-39(21-28-45)34-49(41-14-9-7-10-15-41)42-16-11-8-12-17-42;1-41(2)18-21-45-22-19-42(3,4)36-37(45)31(41)25-27-24-30(40(49)50-38(27)36)32-16-17-34(52-32)33-15-14-29(51-33)23-28(26-43)39(48)44-20-12-10-8-6-5-7-9-11-13-35(46)47;1-6-41-33-13-11-10-12-31(33)32-23-27(14-19-34(32)41)37-22-26(5)36(47-37)24-28(25-39)35(42)20-21-38(43)40-29-15-17-30(18-16-29)48(44-7-2,45-8-3)46-9-4;1-6-38-30-10-8-7-9-28(30)29-20-24(11-16-31(29)38)34-19-23(2)33(44-34)21-25(22-36)32(39)17-18-35(40)37-26-12-14-27(15-13-26)45(41-3,42-4)43-5/h7-12,14-17,20-36,48,51,56,59H,13,18-19,37-38H2,1-6H3,(H,61,66)(H,62,67);14-17,23-25H,5-13,18-22H2,1-4H3,(H,44,48)(H,46,47);10-19,22-24H,6-9,20-21H2,1-5H3,(H,40,43);7-16,19-21H,6,17-18H2,1-5H3,(H,37,40)/b53-36+;28-23+;28-24+;25-21+.
What are the key properties of (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide?
(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide has a molecular weight of 3222.30 g/mol, XLogP of 33.85, 62 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-triethoxysilylphenyl)hex-5-enamide;(E)-5-cyano-6-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-4-oxo-N-(4-trimethoxysilylphenyl)hex-5-enamide;11-[[(E)-2-cyano-3-[5-[5-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)thiophen-2-yl]thiophen-2-yl]prop-2-enoyl]amino]undecanoic acid;2-[(5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-[4-oxo-3-[2-oxo-2-(4-trimethoxysilylanilino)ethyl]-2-sulfanylidene-1,3-thiazolidin-5-yl]-1,3-thiazolidin-3-yl]-N-(4-trimethoxysilylphenyl)acetamide is sourced from PubChem (CID 159727469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).