6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole

C40H25N5S2 — CID 59999912

IUPAC6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc3c(c2)c2cc(-c4c(-c5ccccc5)nc5sccn45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C40H25N5S2/c1-4-10-26(11-5-1)35-37(43-20-22-46-39(43)41-35)28-16-18-33-31(24-28)32-25-29(17-19-34(32)45(33)30-14-8-3-9-15-30)38-36(27-12-6-2-7-13-27)42-40-44(38)21-23-47-40/h1-25H
InChIKeyOCYUCSOIIZVIFJ-UHFFFAOYSA-N
MW639.81 g/mol
LogP10.87
Rot. Bonds5

About 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole

6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59999912) has the molecular formula C40H25N5S2 and a molecular weight of 639.81 g/mol. Its IUPAC name is 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole
PubChem CID59999912
Molecular FormulaC40H25N5S2
Molecular Weight639.81 g/mol
Exact Mass639.16
IUPAC Name6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc3c(c2)c2cc(-c4c(-c5ccccc5)nc5sccn45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C40H25N5S2/c1-4-10-26(11-5-1)35-37(43-20-22-46-39(43)41-35)28-16-18-33-31(24-28)32-25-29(17-19-34(32)45(33)30-14-8-3-9-15-30)38-36(27-12-6-2-7-13-27)42-40-44(38)21-23-47-40/h1-25H
InChIKeyOCYUCSOIIZVIFJ-UHFFFAOYSA-N
XLogP10.87
TPSA39.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.81
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-2-[(E)-2-[9-(4-imidazol-1-ylbutyl)carbazol-3-yl]ethenyl]-1,3-benzothiazol-3-ium iodide
CID 168284131
7-carbazol-9-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;7-indol-1-yl-10H-imidazo[2,1-a]isoquinolin-10-ide;pentakis(iridium);7-(5-methylthiophen-2-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;7-(9-phenylcarbazol-3-yl)-10H-imidazo[2,1-a]isoquinolin-10-ide;3-[2-(trifluoromethyl)phenyl]-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 158035796
6-[4-Ethyl-2-(4-fluoro-2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-(2-imidazo[2,1-b][1,3]thiazol-6-yl-5-methylphenyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
CID 164581217
6-(4-Fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium
CID 164581302
3-Methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 139037455
CID 139086672
CID 139086672
CID 139093840
CID 139093840
5-(4-Nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191661
2-Iodo-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 139192590
2-(5-Imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 139236157
6-(4-Fluorophenyl)-5-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581543
3-ethyl-2-[(E)-2-[9-(4-imidazol-1-ylbutyl)carbazol-3-yl]ethenyl]-1,3-benzothiazol-3-ium
CID 168284132

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole (CID 59999912) is 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole is c1ccc(-c2nc3sccn3c2-c2ccc3c(c2)c2cc(-c4c(-c5ccccc5)nc5sccn45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OCYUCSOIIZVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5S2/c1-4-10-26(11-5-1)35-37(43-20-22-46-39(43)41-35)28-16-18-33-31(24-28)32-25-29(17-19-34(32)45(33)30-14-8-3-9-15-30)38-36(27-12-6-2-7-13-27)42-40-44(38)21-23-47-40/h1-25H.
What are the key properties of 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 639.81 g/mol, XLogP of 10.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[9-phenyl-6-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)carbazol-3-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59999912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).