5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole

C109H168Br2O3S10Sn — CID 157280840

IUPAC5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
SMILESCCCCCCCCCCCCCCSc1cc(Br)sc1-c1sc(Br)cc1C.CCCCCCCCCCCCCCSc1cc(C)sc1-c1sc(-c2cc3c(C)c4sc(C)cc4c(OCCCCCCCCCCCC)c3s2)cc1C.CCCCCCCCCCCCOc1c2cc([Sn](C)(C)C)sc2c(OCCCCCCCCCCCC)c2cc(C)sc12
InChIInChI=1S/C48H70OS5.C35H55O2S2.C23H34Br2S3.3CH3.Sn/c1-7-9-11-13-15-17-19-20-22-24-26-28-30-50-43-33-37(5)52-48(43)45-35(3)31-41(53-45)42-34-39-38(6)46-40(32-36(4)51-46)44(47(39)54-42)49-29-27-25-23-21-18-16-14-12-10-8-2;1-4-6-8-10-12-14-16-18-20-22-25-36-32-30-24-27-38-34(30)33(31-28-29(3)39-35(31)32)37-26-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-19-17-21(25)28-23(19)22-18(2)16-20(24)27-22;;;;/h31-34H,7-30H2,1-6H3;24,28H,4-23,25-26H2,1-3H3;16-17H,3-15H2,1-2H3;3*1H3;
InChIKeyAZQLVNWYKCRGOM-UHFFFAOYSA-N
MW2125.73 g/mol
LogP43.57
Rot. Bonds68

About 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole

5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole (PubChem CID 157280840) has the molecular formula C109H168Br2O3S10Sn and a molecular weight of 2125.73 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
PubChem CID157280840
Molecular FormulaC109H168Br2O3S10Sn
Molecular Weight2125.73 g/mol
Exact Mass2122.76
IUPAC Name5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
SMILESCCCCCCCCCCCCCCSc1cc(Br)sc1-c1sc(Br)cc1C.CCCCCCCCCCCCCCSc1cc(C)sc1-c1sc(-c2cc3c(C)c4sc(C)cc4c(OCCCCCCCCCCCC)c3s2)cc1C.CCCCCCCCCCCCOc1c2cc([Sn](C)(C)C)sc2c(OCCCCCCCCCCCC)c2cc(C)sc12
InChIInChI=1S/C48H70OS5.C35H55O2S2.C23H34Br2S3.3CH3.Sn/c1-7-9-11-13-15-17-19-20-22-24-26-28-30-50-43-33-37(5)52-48(43)45-35(3)31-41(53-45)42-34-39-38(6)46-40(32-36(4)51-46)44(47(39)54-42)49-29-27-25-23-21-18-16-14-12-10-8-2;1-4-6-8-10-12-14-16-18-20-22-25-36-32-30-24-27-38-34(30)33(31-28-29(3)39-35(31)32)37-26-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-19-17-21(25)28-23(19)22-18(2)16-20(24)27-22;;;;/h31-34H,7-30H2,1-6H3;24,28H,4-23,25-26H2,1-3H3;16-17H,3-15H2,1-2H3;3*1H3;
InChIKeyAZQLVNWYKCRGOM-UHFFFAOYSA-N
XLogP43.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds68
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.73
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole with MolForge

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Related Compounds

trimethyl-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]stannane
CID 158336022
[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-trimethylstannane
CID 58568477
CID 140668957
CID 140668957
octyl 6-methyl-4-(6-methyl-4,8-dioctoxythieno[2,3-f][1]benzothiol-2-yl)thieno[2,3-c]thiophene-2-carboxylate
CID 70957869
2-bromo-4-buta-1,3-diynyl-1,3-thiazole;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;2-[4,8-didodecoxy-2-(4-tetradecyl-1,3-thiazol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4-tetradecyl-1,3-thiazole;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane)
CID 159719236
10-methyl-23-(6-methyl-4,8-dioctoxythieno[2,3-f][1]benzothiol-2-yl)-13,13,26,26-tetra(tetradecyl)-7,20-dithia-6,8,19,21-tetrazaheptacyclo[14.10.0.03,14.04,12.05,9.017,25.018,22]hexacosa-1(16),2,4(12),5,8,10,14,17(25),18,21,23-undecaene
CID 176857190
4-[5-[4,8-di(icosoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5,6-difluoro-2-methyl-7-(5-methylthiophen-2-yl)benzotriazole
CID 90206815
trimethyl-[6-methyl-4,8-bis(3-pentylundecyl)thieno[2,3-f][1]benzothiol-2-yl]stannane
CID 158936698
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
CID 66653400
2-bromo-5-(5-bromo-4-octylthiophen-2-yl)-3-octylthiophene;methane;2-[3-methyl-5-[5-(5-methyl-4-octylthiophen-2-yl)-3-octylthiophen-2-yl]thiophen-2-yl]-5-(5-methyl-3-octoxythiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole;trimethyl-[4-methyl-5-[5-(3-octoxy-5-trimethylstannylthiophen-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]stannane
CID 158448281
4-[4,8-bis(2-hexyldecoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-11-methyl-8-(2-tetradecyloctadecyl)-3,7λ6,12-trithia-8-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene 7,7-dioxide
CID 121356612
CID 160607927
CID 160607927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole?
The IUPAC name of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole (CID 157280840) is 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole.
What is the SMILES notation for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole?
The canonical SMILES for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole is CCCCCCCCCCCCCCSc1cc(Br)sc1-c1sc(Br)cc1C.CCCCCCCCCCCCCCSc1cc(C)sc1-c1sc(-c2cc3c(C)c4sc(C)cc4c(OCCCCCCCCCCCC)c3s2)cc1C.CCCCCCCCCCCCOc1c2cc([Sn](C)(C)C)sc2c(OCCCCCCCCCCCC)c2cc(C)sc12.
What is the InChIKey of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole?
The InChIKey is AZQLVNWYKCRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70OS5.C35H55O2S2.C23H34Br2S3.3CH3.Sn/c1-7-9-11-13-15-17-19-20-22-24-26-28-30-50-43-33-37(5)52-48(43)45-35(3)31-41(53-45)42-34-39-38(6)46-40(32-36(4)51-46)44(47(39)54-42)49-29-27-25-23-21-18-16-14-12-10-8-2;1-4-6-8-10-12-14-16-18-20-22-25-36-32-30-24-27-38-34(30)33(31-28-29(3)39-35(31)32)37-26-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-19-17-21(25)28-23(19)22-18(2)16-20(24)27-22;;;;/h31-34H,7-30H2,1-6H3;24,28H,4-23,25-26H2,1-3H3;16-17H,3-15H2,1-2H3;3*1H3;.
What are the key properties of 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole?
5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole has a molecular weight of 2125.73 g/mol, XLogP of 43.57, 68 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-3-methylthiophen-2-yl)-3-tetradecylsulfanylthiophene;(4,8-didodecoxy-6-methylthieno[2,3-f][1]benzothiol-2-yl)-trimethylstannane;8-dodecoxy-4,6-dimethyl-2-[4-methyl-5-(5-methyl-3-tetradecylsulfanylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiole is sourced from PubChem (CID 157280840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).