6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C34H18N6S4 — CID 171415472

IUPAC6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4cc5cc6cc7sc(-c8nn9cc(-c%10ccccc%10)nc9s8)cc7cc6cc5s4)sc3n2)cc1
InChIInChI=1S/C34H18N6S4/c1-3-7-19(8-4-1)25-17-39-33(35-25)43-31(37-39)29-15-23-11-21-14-28-24(12-22(21)13-27(23)41-29)16-30(42-28)32-38-40-18-26(36-34(40)44-32)20-9-5-2-6-10-20/h1-18H
InChIKeyCIRKJEJYVCAYHN-UHFFFAOYSA-N
MW638.83 g/mol
LogP10.15
Rot. Bonds4

About 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171415472) has the molecular formula C34H18N6S4 and a molecular weight of 638.83 g/mol. Its IUPAC name is 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171415472
Molecular FormulaC34H18N6S4
Molecular Weight638.83 g/mol
Exact Mass638.05
IUPAC Name6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(-c4cc5cc6cc7sc(-c8nn9cc(-c%10ccccc%10)nc9s8)cc7cc6cc5s4)sc3n2)cc1
InChIInChI=1S/C34H18N6S4/c1-3-7-19(8-4-1)25-17-39-33(35-25)43-31(37-39)29-15-23-11-21-14-28-24(12-22(21)13-27(23)41-29)16-30(42-28)32-38-40-18-26(36-34(40)44-32)20-9-5-2-6-10-20/h1-18H
InChIKeyCIRKJEJYVCAYHN-UHFFFAOYSA-N
XLogP10.15
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.83
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

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CID 15954497
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CID 86575218
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020637
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 2127052
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-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
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
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
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
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 11623933
6-(4-bromophenyl)-2-(naphthalen-2-yloxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 44603922
2-(2-fluorophenyl)-6-(3-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole;hydron;tetrafluoroborate
CID 163355522

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 171415472) is 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3nc(-c4cc5cc6cc7sc(-c8nn9cc(-c%10ccccc%10)nc9s8)cc7cc6cc5s4)sc3n2)cc1.
What is the InChIKey of 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CIRKJEJYVCAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N6S4/c1-3-7-19(8-4-1)25-17-39-33(35-25)43-31(37-39)29-15-23-11-21-14-28-24(12-22(21)13-27(23)41-29)16-30(42-28)32-38-40-18-26(36-34(40)44-32)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 638.83 g/mol, XLogP of 10.15, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[7-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171415472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).