[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

C40H56Cl2S4Sn2 — CID 139035173

IUPAC[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
SMILESCCCCC(CC)Cc1sc(-c2c3cc([Sn](C)(C)C)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc([Sn](C)(C)C)sc23)cc1Cl
InChIInChI=1S/C34H38Cl2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKeyVXLARDDMGOLESE-UHFFFAOYSA-N
MW973.48 g/mol
LogP15.49
Rot. Bonds16

About [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane (PubChem CID 139035173) has the molecular formula C40H56Cl2S4Sn2 and a molecular weight of 973.48 g/mol. Its IUPAC name is [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane.

Molecular Properties

Compound Name[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
PubChem CID139035173
Molecular FormulaC40H56Cl2S4Sn2
Molecular Weight973.48 g/mol
Exact Mass974.07
IUPAC Name[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
SMILESCCCCC(CC)Cc1sc(-c2c3cc([Sn](C)(C)C)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc([Sn](C)(C)C)sc23)cc1Cl
InChIInChI=1S/C34H38Cl2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKeyVXLARDDMGOLESE-UHFFFAOYSA-N
XLogP15.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.48
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-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

2,6-Bis(trimethytin)-4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 138112137
1,1'-[4,8-Bis[5-(2-hexyldecyl)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]
CID 87426092
4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene
CID 90187248
4,8-Bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 139594104
[4,8-Bis[5-(2-ethylhexyl)thieno[3,2-b]thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis(trimethylstannane)
CID 133083198
1,1'-[4,8-Bis[5-(dodecylthio)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]
CID 139034053
2,6-Bis(trimethylstannyl)-4,8-bis(5-(tripropylsilyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 139035997
4,8-Didodecyl-2,6-bis(3-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 57777159
4,8-Dihexyl-2,6-bis(3-hexylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 66870438
4,8-Bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 101543021
4,8-Bis(4,5-dihexylthiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 102525236
4,8-Bis(5-(2-ethylhexyl)-4-hexylthiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
CID 117772829

Frequently Asked Questions

What is the IUPAC name of [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The IUPAC name of [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane (CID 139035173) is [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane.
What is the SMILES notation for [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The canonical SMILES for [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane is CCCCC(CC)Cc1sc(-c2c3cc([Sn](C)(C)C)sc3c(-c3cc(Cl)c(CC(CC)CCCC)s3)c3cc([Sn](C)(C)C)sc23)cc1Cl.
What is the InChIKey of [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The InChIKey is VXLARDDMGOLESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;.
What are the key properties of [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
[4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane has a molecular weight of 973.48 g/mol, XLogP of 15.49, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,8-bis[4-chloro-5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane is sourced from PubChem (CID 139035173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).