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

C35H17N3S6 — CID 171415490

About 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

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 (PubChem CID 171415490) has the molecular formula C35H17N3S6 and a molecular weight of 671.94 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171415490
• Molecular Formula: C35H17N3S6
• Molecular Weight: 671.94 g/mol
• Exact Mass: 670.97
• IUPAC Name: 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
• SMILES: c1ccc(-c2cc3sc(-c4cc5cc6cc7sc(-c8nc9sc(-c%10ccccc%10)nc9s8)cc7cc6cc5s4)nc3s2)cc1
• InChI: InChI=1S/C35H17N3S6/c1-3-7-18(8-4-1)26-17-29-32(41-26)37-31(42-29)27-15-22-11-20-14-25-23(12-21(20)13-24(22)39-27)16-28(40-25)33-38-35-34(44-33)36-30(43-35)19-9-5-2-6-10-19/h1-17H
• InChIKey: BTUHGWFOJHOGJI-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 38.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.94
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-c2cc3sc(-c4cc5cc6cc7sc(-c8nc9sc(-c%10ccccc%10)nc9s8)cc7cc6cc5s4)nc3s2)cc1.

What is the InChIKey of 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?

The InChIKey is BTUHGWFOJHOGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H17N3S6/c1-3-7-18(8-4-1)26-17-29-32(41-26)37-31(42-29)27-15-22-11-20-14-25-23(12-21(20)13-24(22)39-27)16-28(40-25)33-38-35-34(44-33)36-30(43-35)19-9-5-2-6-10-19/h1-17H.

What are the key properties of 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?

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 has a molecular weight of 671.94 g/mol, XLogP of 12.67, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171415490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).