2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene

C126H134N4O19S7 — CID 158922264

IUPAC2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene
SMILESCOc1cc(OC)c(-c2cc(C#N)c(-c3c(OC)cc(OC)cc3OC)s2)c(OC)c1.COc1cccc(OC(C)C)c1-c1cc(CC(C)=O)c(-c2c(OC)cccc2OC(C)C)s1.COc1cccc(OC(C)C)c1-c1cc2sc(-c3c(OC)cccc3OC(C)C)cc2s1.Cc1cc(C)c(-c2sc3c(C)c(-c4c(C)cc(C)cc4C)sc3c2C)c(C)c1.[C-]#[N+]c1cc(OC)c(-c2cc(N(C)C)c(-c3c(OC)cc(C#N)cc3OC)s2)c(OC)c1
InChIInChI=1S/C27H32O5S.C26H28O4S2.C26H28S2.C24H23N3O4S.C23H23NO6S/c1-16(2)31-22-12-8-10-20(29-6)25(22)24-15-19(14-18(5)28)27(33-24)26-21(30-7)11-9-13-23(26)32-17(3)4;1-15(2)29-19-11-7-9-17(27-5)25(19)23-13-21-22(31-23)14-24(32-21)26-18(28-6)10-8-12-20(26)30-16(3)4;1-13-9-15(3)21(16(4)10-13)23-19(7)25-26(27-23)20(8)24(28-25)22-17(5)11-14(2)12-18(22)6;1-26-15-10-19(30-6)22(20(11-15)31-7)21-12-16(27(2)3)24(32-21)23-17(28-4)8-14(13-25)9-18(23)29-5;1-25-14-8-16(27-3)21(17(9-14)28-4)20-7-13(12-24)23(31-20)22-18(29-5)10-15(26-2)11-19(22)30-6/h8-13,15-17H,14H2,1-7H3;7-16H,1-6H3;9-12H,1-8H3;8-12H,2-7H3;7-11H,1-6H3
InChIKeyJHZBLXBXAQQDML-UHFFFAOYSA-N
MW2232.94 g/mol
LogP34.07
Rot. Bonds35

About 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene

2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene (PubChem CID 158922264) has the molecular formula C126H134N4O19S7 and a molecular weight of 2232.94 g/mol. Its IUPAC name is 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene
PubChem CID158922264
Molecular FormulaC126H134N4O19S7
Molecular Weight2232.94 g/mol
Exact Mass2230.77
IUPAC Name2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene
SMILESCOc1cc(OC)c(-c2cc(C#N)c(-c3c(OC)cc(OC)cc3OC)s2)c(OC)c1.COc1cccc(OC(C)C)c1-c1cc(CC(C)=O)c(-c2c(OC)cccc2OC(C)C)s1.COc1cccc(OC(C)C)c1-c1cc2sc(-c3c(OC)cccc3OC(C)C)cc2s1.Cc1cc(C)c(-c2sc3c(C)c(-c4c(C)cc(C)cc4C)sc3c2C)c(C)c1.[C-]#[N+]c1cc(OC)c(-c2cc(N(C)C)c(-c3c(OC)cc(C#N)cc3OC)s2)c(OC)c1
InChIInChI=1S/C27H32O5S.C26H28O4S2.C26H28S2.C24H23N3O4S.C23H23NO6S/c1-16(2)31-22-12-8-10-20(29-6)25(22)24-15-19(14-18(5)28)27(33-24)26-21(30-7)11-9-13-23(26)32-17(3)4;1-15(2)29-19-11-7-9-17(27-5)25(19)23-13-21-22(31-23)14-24(32-21)26-18(28-6)10-8-12-20(26)30-16(3)4;1-13-9-15(3)21(16(4)10-13)23-19(7)25-26(27-23)20(8)24(28-25)22-17(5)11-14(2)12-18(22)6;1-26-15-10-19(30-6)22(20(11-15)31-7)21-12-16(27(2)3)24(32-21)23-17(28-4)8-14(13-25)9-18(23)29-5;1-25-14-8-16(27-3)21(17(9-14)28-4)20-7-13(12-24)23(31-20)22-18(29-5)10-15(26-2)11-19(22)30-6/h8-13,15-17H,14H2,1-7H3;7-16H,1-6H3;9-12H,1-8H3;8-12H,2-7H3;7-11H,1-6H3
InChIKeyJHZBLXBXAQQDML-UHFFFAOYSA-N
XLogP34.07
TPSA238.39 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002232.94
LogP ≤ 534.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene with MolForge

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Related Compounds

1-[2-(5-bromo-3,4-dimethylthiophen-2-yl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one
CID 130352993
ethyl 2-[2-[3,6-dimethoxy-2-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3-(2-oxopropyl)thiophen-2-yl]thieno[3,2-b]thiophen-5-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 129061299
ethyl 2-[2-[4-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 129069085
ethyl 2-[2-[5-[5-[5-[3-(2-ethoxy-2-oxoethyl)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]acetate
CID 118656644
N-[6-[8-(4-cyano-2,6-dimethylphenyl)naphthalen-1-yl]-3-[8-(4-isocyano-2,6-dimethoxyphenyl)naphthalen-1-yl]-2-(2-methylpropanoylamino)phenyl]-2-methylpropanamide
CID 163697692
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
CID 71105084
2-bromo-5-[5-(2-methoxy-6-propan-2-yloxyphenyl)-3,4-dimethylthiophen-2-yl]-3,4-dimethylthiophene
CID 123312075
2,5-bis(4-tert-butyl-2,6-dimethoxyphenyl)-3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]thiophene;2,5-bis(2,6-diethoxyphenyl)-3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]thiophene;3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,5-bis(2-methoxy-4-methyl-6-phenylmethoxyphenyl)thiophene;4-[5-(4-isocyano-2,6-dimethoxyphenyl)-3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]thiophen-2-yl]-3,5-dimethoxybenzonitrile
CID 157368689
2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
CID 71105098
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44923703
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene (CID 158922264) is 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene is COc1cc(OC)c(-c2cc(C#N)c(-c3c(OC)cc(OC)cc3OC)s2)c(OC)c1.COc1cccc(OC(C)C)c1-c1cc(CC(C)=O)c(-c2c(OC)cccc2OC(C)C)s1.COc1cccc(OC(C)C)c1-c1cc2sc(-c3c(OC)cccc3OC(C)C)cc2s1.Cc1cc(C)c(-c2sc3c(C)c(-c4c(C)cc(C)cc4C)sc3c2C)c(C)c1.[C-]#[N+]c1cc(OC)c(-c2cc(N(C)C)c(-c3c(OC)cc(C#N)cc3OC)s2)c(OC)c1.
What is the InChIKey of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene?
The InChIKey is JHZBLXBXAQQDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5S.C26H28O4S2.C26H28S2.C24H23N3O4S.C23H23NO6S/c1-16(2)31-22-12-8-10-20(29-6)25(22)24-15-19(14-18(5)28)27(33-24)26-21(30-7)11-9-13-23(26)32-17(3)4;1-15(2)29-19-11-7-9-17(27-5)25(19)23-13-21-22(31-23)14-24(32-21)26-18(28-6)10-8-12-20(26)30-16(3)4;1-13-9-15(3)21(16(4)10-13)23-19(7)25-26(27-23)20(8)24(28-25)22-17(5)11-14(2)12-18(22)6;1-26-15-10-19(30-6)22(20(11-15)31-7)21-12-16(27(2)3)24(32-21)23-17(28-4)8-14(13-25)9-18(23)29-5;1-25-14-8-16(27-3)21(17(9-14)28-4)20-7-13(12-24)23(31-20)22-18(29-5)10-15(26-2)11-19(22)30-6/h8-13,15-17H,14H2,1-7H3;7-16H,1-6H3;9-12H,1-8H3;8-12H,2-7H3;7-11H,1-6H3.
What are the key properties of 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene?
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene has a molecular weight of 2232.94 g/mol, XLogP of 34.07, 35 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thieno[3,2-b]thiophene;1-[2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)thiophen-3-yl]propan-2-one;2,5-bis(2,4,6-trimethoxyphenyl)thiophene-3-carbonitrile;4-[3-(dimethylamino)-5-(4-isocyano-2,6-dimethoxyphenyl)thiophen-2-yl]-3,5-dimethoxybenzonitrile;3,6-dimethyl-2,5-bis(2,4,6-trimethylphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 158922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).