trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane

C28H24N2OS6Sn2 — CID 163984741

IUPACtrimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane
SMILESC[Sn](C)(C)c1cc2sc(-c3cc4c5nonc5c5cc(-c6cc7sc([Sn](C)(C)C)cc7s6)sc5c4s3)cc2s1
InChIInChI=1S/C22H6N2OS6.6CH3.2Sn/c1-3-26-13-7-17(28-11(1)13)15-5-9-19-20(24-25-23-19)10-6-16(31-22(10)21(9)30-15)18-8-14-12(29-18)2-4-27-14;;;;;;;;/h1-2,5-8H;6*1H3;;
InChIKeyTVGRNYCRSSESLS-UHFFFAOYSA-N
MW834.34 g/mol
LogP10.63
Rot. Bonds4

About trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane

trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane (PubChem CID 163984741) has the molecular formula C28H24N2OS6Sn2 and a molecular weight of 834.34 g/mol. Its IUPAC name is trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane
PubChem CID163984741
Molecular FormulaC28H24N2OS6Sn2
Molecular Weight834.34 g/mol
Exact Mass835.83
IUPAC Nametrimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane
SMILESC[Sn](C)(C)c1cc2sc(-c3cc4c5nonc5c5cc(-c6cc7sc([Sn](C)(C)C)cc7s6)sc5c4s3)cc2s1
InChIInChI=1S/C22H6N2OS6.6CH3.2Sn/c1-3-26-13-7-17(28-11(1)13)15-5-9-19-20(24-25-23-19)10-6-16(31-22(10)21(9)30-15)18-8-14-12(29-18)2-4-27-14;;;;;;;;/h1-2,5-8H;6*1H3;;
InChIKeyTVGRNYCRSSESLS-UHFFFAOYSA-N
XLogP10.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.34
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane with MolForge

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Related Compounds

4,7-dibromo-6-methyl-5-octoxy-2,1,3-benzoxadiazole;(4,8-dioctyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;6-methyl-4-[6-[6-methyl-5-octoxy-4-(2-phenylthieno[3,2-b]thiophen-5-yl)-2,1,3-benzoxadiazol-7-yl]-4,8-dioctylthieno[2,3-f][1]benzothiol-2-yl]-5-octoxy-7-phenyl-2,1,3-benzoxadiazole;trimethyl-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)stannane
CID 162223158
trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane
CID 142287598
ethyl-[(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)methyl]tin
CID 140651479
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177425963
(6-chlorothieno[3,2-c]pyridin-2-yl)-trimethylstannane
CID 166146158
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
[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
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
9,20-dithiophen-2-yl-4,10,15,21-tetrathia-3,5,14,16-tetrazahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(12),2,5,7(11),8,13,16,18(22),19-nonaene
CID 177422656
2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
CID 89495689

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane?
The IUPAC name of trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane (CID 163984741) is trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane.
What is the SMILES notation for trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane?
The canonical SMILES for trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane is C[Sn](C)(C)c1cc2sc(-c3cc4c5nonc5c5cc(-c6cc7sc([Sn](C)(C)C)cc7s6)sc5c4s3)cc2s1.
What is the InChIKey of trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane?
The InChIKey is TVGRNYCRSSESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H6N2OS6.6CH3.2Sn/c1-3-26-13-7-17(28-11(1)13)15-5-9-19-20(24-25-23-19)10-6-16(31-22(10)21(9)30-15)18-8-14-12(29-18)2-4-27-14;;;;;;;;/h1-2,5-8H;6*1H3;;.
What are the key properties of trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane?
trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane has a molecular weight of 834.34 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane is sourced from PubChem (CID 163984741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).