6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine

C40H22N2S4 — CID 171415491

IUPAC6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cnc3cc(-c4cc5cc6cc7sc(-c8cc9ncc(-c%10ccccc%10)cc9s8)cc7cc6cc5s4)sc3c2)cc1
InChIInChI=1S/C40H22N2S4/c1-3-7-23(8-4-1)29-17-35-31(41-21-29)19-39(45-35)37-15-27-11-25-14-34-28(12-26(25)13-33(27)43-37)16-38(44-34)40-20-32-36(46-40)18-30(22-42-32)24-9-5-2-6-10-24/h1-22H
InChIKeyYQKJECWZZFQSNU-UHFFFAOYSA-N
MW658.90 g/mol
LogP13.16
Rot. Bonds4

About 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine

6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine (PubChem CID 171415491) has the molecular formula C40H22N2S4 and a molecular weight of 658.90 g/mol. Its IUPAC name is 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine
PubChem CID171415491
Molecular FormulaC40H22N2S4
Molecular Weight658.90 g/mol
Exact Mass658.07
IUPAC Name6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cnc3cc(-c4cc5cc6cc7sc(-c8cc9ncc(-c%10ccccc%10)cc9s8)cc7cc6cc5s4)sc3c2)cc1
InChIInChI=1S/C40H22N2S4/c1-3-7-23(8-4-1)29-17-35-31(41-21-29)19-39(45-35)37-15-27-11-25-14-34-28(12-26(25)13-33(27)43-37)16-38(44-34)40-20-32-36(46-40)18-30(22-42-32)24-9-5-2-6-10-24/h1-22H
InChIKeyYQKJECWZZFQSNU-UHFFFAOYSA-N
XLogP13.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.90
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine with MolForge

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Related Compounds

3,7-bis(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)-1,5-naphthyridine
CID 170275010
7-phenyl-2-[2,3,5,6-tetrafluoro-4-(7-phenyl-[1]benzothiolo[5,6-f][1]benzothiol-2-yl)phenyl]-[1]benzothiolo[5,6-f][1]benzothiole
CID 170275022
6,16-bis[4-(4-phenylphenyl)phenyl]-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 164729603
5-anthracen-2-yl-2-[2-(5-anthracen-2-yl-1,3-thiazol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazole
CID 59464646
2-phenyl-5-[7-(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 171415490
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
2-[3-[4-(1-benzothiophen-2-yl)phenyl]-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163807686
2-(3,5-dimethylphenyl)-5-(3-phenylphenyl)thieno[2,3-c]pyridine
CID 155626807
6-phenyl-16-[4-(4-phenylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 164729633
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine?
The IUPAC name of 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine (CID 171415491) is 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine is c1ccc(-c2cnc3cc(-c4cc5cc6cc7sc(-c8cc9ncc(-c%10ccccc%10)cc9s8)cc7cc6cc5s4)sc3c2)cc1.
What is the InChIKey of 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine?
The InChIKey is YQKJECWZZFQSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N2S4/c1-3-7-23(8-4-1)29-17-35-31(41-21-29)19-39(45-35)37-15-27-11-25-14-34-28(12-26(25)13-33(27)43-37)16-38(44-34)40-20-32-36(46-40)18-30(22-42-32)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine?
6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine has a molecular weight of 658.90 g/mol, XLogP of 13.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[7-(6-phenylthieno[3,2-b]pyridin-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 171415491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).