[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane

C46H40S8Sn — CID 159682005

IUPAC[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCC=CCc1ccc(-c2c3cc(-c4ccc(-c5ccc([Sn](C)(C)C)s5)s4)sc3c(-c3ccc(CC=CC)s3)c3cc(-c4ccc(-c5ccc(C)s5)s4)sc23)s1
InChIInChI=1S/C43H31S8.3CH3.Sn/c1-4-6-9-26-13-16-36(46-26)40-28-23-38(34-20-18-31(48-34)30-11-8-22-44-30)50-42(28)41(37-17-14-27(47-37)10-7-5-2)29-24-39(51-43(29)40)35-21-19-33(49-35)32-15-12-25(3)45-32;;;;/h4-8,11-21,23-24H,9-10H2,1-3H3;3*1H3;
InChIKeyLSKIBDWQPLWTHD-UHFFFAOYSA-N
MW968.07 g/mol
LogP17.58
Rot. Bonds11

About [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane

[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane (PubChem CID 159682005) has the molecular formula C46H40S8Sn and a molecular weight of 968.07 g/mol. Its IUPAC name is [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
PubChem CID159682005
Molecular FormulaC46H40S8Sn
Molecular Weight968.07 g/mol
Exact Mass967.99
IUPAC Name[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCC=CCc1ccc(-c2c3cc(-c4ccc(-c5ccc([Sn](C)(C)C)s5)s4)sc3c(-c3ccc(CC=CC)s3)c3cc(-c4ccc(-c5ccc(C)s5)s4)sc23)s1
InChIInChI=1S/C43H31S8.3CH3.Sn/c1-4-6-9-26-13-16-36(46-26)40-28-23-38(34-20-18-31(48-34)30-11-8-22-44-30)50-42(28)41(37-17-14-27(47-37)10-7-5-2)29-24-39(51-43(29)40)35-21-19-33(49-35)32-15-12-25(3)45-32;;;;/h4-8,11-21,23-24H,9-10H2,1-3H3;3*1H3;
InChIKeyLSKIBDWQPLWTHD-UHFFFAOYSA-N
XLogP17.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.07
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177425963
2,6-dibromo-4-[5-(bromomethyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 122370041
13-[5-[5-[8-(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-4-(5-nona-2,4,5,6,7,8-hexaen-4-ylthiophen-2-yl)thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-4,6,11-trimethyl-15-oxa-5,12-dithiatetracyclo[7.6.0.03,7.010,14]pentadeca-1(9),3,6,10,13-pentaene-2,8-dione
CID 158538844
1,3-bis(5-bromothiophen-2-yl)-5-(2-methylpropyl)thieno[3,4-c]pyrrole-4,6-dione;1,3-bis(5-bromothiophen-2-yl)-5-methylthieno[3,4-c]pyrrole-4,6-dione;[4,8-bis[5-(2-methylpropyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;3-[5-[6-[5-[5-methyl-3-[5-[6-methyl-4,8-bis[5-(2-methylpropyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-4,8-bis[5-(2-methylpropyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-(2-methylpropyl)-1-(5-methylthiophen-2-yl)thieno[3,4-c]pyrrole-4,6-dione
CID 160899200
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane
CID 176786497
[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 54194493
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
[5-(5-icosylthiophen-2-yl)thiophen-2-yl]-trimethylstannane
CID 24744286
3-[5-[6-[5-[3-[5-[4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]-6-methylthieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-octyl-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-4,8-bis[5-(2-hexyldecyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-(2-ethylhexyl)-1-(5-methylthiophen-2-yl)thieno[3,4-c]pyrrole-4,6-dione
CID 164730108
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
7,16-bis(5-methylthiophen-2-yl)-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 144714716

Frequently Asked Questions

What is the IUPAC name of [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane (CID 159682005) is [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane is CC=CCc1ccc(-c2c3cc(-c4ccc(-c5ccc([Sn](C)(C)C)s5)s4)sc3c(-c3ccc(CC=CC)s3)c3cc(-c4ccc(-c5ccc(C)s5)s4)sc23)s1.
What is the InChIKey of [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
The InChIKey is LSKIBDWQPLWTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31S8.3CH3.Sn/c1-4-6-9-26-13-16-36(46-26)40-28-23-38(34-20-18-31(48-34)30-11-8-22-44-30)50-42(28)41(37-17-14-27(47-37)10-7-5-2)29-24-39(51-43(29)40)35-21-19-33(49-35)32-15-12-25(3)45-32;;;;/h4-8,11-21,23-24H,9-10H2,1-3H3;3*1H3;.
What are the key properties of [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane?
[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane has a molecular weight of 968.07 g/mol, XLogP of 17.58, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 159682005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).