2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one

C106H109BBrN11O12S8 — CID 158150545

IUPAC2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2cccs2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4cccs4)s3)ccc2N1
InChIInChI=1S/C30H32N4O2S2.C24H18N2O3S2.C16H11NOS2.C14H18BNO3.C8H5BrS2.C8H9NO3.C6H16N2/c1-5-34(6-2)14-13-31-30(36)28-18(3)24(32-19(28)4)17-22-21-16-20(9-10-23(21)33-29(22)35)25-11-12-27(38-25)26-8-7-15-37-26;1-12-18(25-13(2)22(12)24(28)29)11-16-15-10-14(5-6-17(15)26-23(16)27)19-7-8-21(31-19)20-4-3-9-30-20;18-16-9-11-8-10(3-4-12(11)17-16)13-5-6-15(20-13)14-2-1-7-19-14;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;9-8-4-3-7(11-8)6-2-1-5-10-6;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7/h7-12,15-17,32H,5-6,13-14H2,1-4H3,(H,31,36)(H,33,35);3-11,25H,1-2H3,(H,26,27)(H,28,29);1-8H,9H2,(H,17,18);5-7H,8H2,1-4H3,(H,16,17);1-5H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3/b22-17-;16-11-;;;;;
InChIKeyFVAZNWCOPHMZRO-DIHXILTESA-N
MW2076.35 g/mol
LogP24.72
Rot. Bonds23

About 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one

2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one (PubChem CID 158150545) has the molecular formula C106H109BBrN11O12S8 and a molecular weight of 2076.35 g/mol. Its IUPAC name is 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one
PubChem CID158150545
Molecular FormulaC106H109BBrN11O12S8
Molecular Weight2076.35 g/mol
Exact Mass2073.53
IUPAC Name2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2cccs2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4cccs4)s3)ccc2N1
InChIInChI=1S/C30H32N4O2S2.C24H18N2O3S2.C16H11NOS2.C14H18BNO3.C8H5BrS2.C8H9NO3.C6H16N2/c1-5-34(6-2)14-13-31-30(36)28-18(3)24(32-19(28)4)17-22-21-16-20(9-10-23(21)33-29(22)35)25-11-12-27(38-25)26-8-7-15-37-26;1-12-18(25-13(2)22(12)24(28)29)11-16-15-10-14(5-6-17(15)26-23(16)27)19-7-8-21(31-19)20-4-3-9-30-20;18-16-9-11-8-10(3-4-12(11)17-16)13-5-6-15(20-13)14-2-1-7-19-14;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;9-8-4-3-7(11-8)6-2-1-5-10-6;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7/h7-12,15-17,32H,5-6,13-14H2,1-4H3,(H,31,36)(H,33,35);3-11,25H,1-2H3,(H,26,27)(H,28,29);1-8H,9H2,(H,17,18);5-7H,8H2,1-4H3,(H,16,17);1-5H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3/b22-17-;16-11-;;;;;
InChIKeyFVAZNWCOPHMZRO-DIHXILTESA-N
XLogP24.72
TPSA335.50 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.35
LogP ≤ 524.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one (CID 158150545) is 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one is Brc1ccc(-c2cccs2)s1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4cccs4)s3)ccc2N1.
What is the InChIKey of 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is FVAZNWCOPHMZRO-DIHXILTESA-N. The full InChI is InChI=1S/C30H32N4O2S2.C24H18N2O3S2.C16H11NOS2.C14H18BNO3.C8H5BrS2.C8H9NO3.C6H16N2/c1-5-34(6-2)14-13-31-30(36)28-18(3)24(32-19(28)4)17-22-21-16-20(9-10-23(21)33-29(22)35)25-11-12-27(38-25)26-8-7-15-37-26;1-12-18(25-13(2)22(12)24(28)29)11-16-15-10-14(5-6-17(15)26-23(16)27)19-7-8-21(31-19)20-4-3-9-30-20;18-16-9-11-8-10(3-4-12(11)17-16)13-5-6-15(20-13)14-2-1-7-19-14;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;9-8-4-3-7(11-8)6-2-1-5-10-6;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7/h7-12,15-17,32H,5-6,13-14H2,1-4H3,(H,31,36)(H,33,35);3-11,25H,1-2H3,(H,26,27)(H,28,29);1-8H,9H2,(H,17,18);5-7H,8H2,1-4H3,(H,16,17);1-5H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3/b22-17-;16-11-;;;;;.
What are the key properties of 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one?
2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 2076.35 g/mol, XLogP of 24.72, 23 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-thiophen-2-ylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-thiophen-2-ylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one;5-(5-thiophen-2-ylthiophen-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158150545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).