carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

C135H172N6O12S7 — CID 159125412

About carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (PubChem CID 159125412) has the molecular formula C135H172N6O12S7 and a molecular weight of 2295.36 g/mol. Its IUPAC name is carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• PubChem CID: 159125412
• Molecular Formula: C135H172N6O12S7
• Molecular Weight: 2295.36 g/mol
• Exact Mass: 2293.11
• IUPAC Name: carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• SMILES: CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCC)C5=O)n(CC)c4=O)s3)cc2)c(OCCCCCC)c1.CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3/C=c3/s/c(=C4/SC(=S)N(C)C4=O)n(C)c3=O)cc2)c(OCCCCCC)c1.O=C=O
• InChI: InChI=1S/C72H93N3O5S4.C62H79N3O5S3.CO2/c1-9-16-21-25-41-75-70(77)68(84-72(75)81)71-73(15-7)69(76)65(83-71)50-57-36-39-64(82-57)67-66(54-33-31-53(32-34-54)58-38-35-56(78-43-26-22-17-10-2)49-63(58)80-45-28-24-19-12-4)60(47-52(14-6)29-20-13-5)61-48-55(40-42-74(61)67)59-37-30-51(8)46-62(59)79-44-27-23-18-11-3;1-9-14-18-21-35-68-48-30-32-49(55(41-48)70-37-23-20-16-11-3)45-26-28-46(29-27-45)57-51(39-44(13-5)24-17-12-4)52-40-47(50-31-25-43(6)38-54(50)69-36-22-19-15-10-2)33-34-65(52)53(57)42-56-59(66)63(7)61(72-56)58-60(67)64(8)62(71)73-58;2-1-3/h30-40,42,46,48-50,52H,9-29,41,43-45,47H2,1-8H3;25-34,38,40-42,44H,9-24,35-37,39H2,1-8H3;/b65-50-,71-68+;56-42+,61-58+
• InChIKey: KGFDJHUYCZSMRI-OHEGKWBBSA-N
• XLogP: 33.72
• TPSA: 182.96 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 63
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.36
LogP ≤ 5	33.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The IUPAC name of carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (CID 159125412) is carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=c4\s/c(=C5/SC(=S)N(CCCCCC)C5=O)n(CC)c4=O)s3)cc2)c(OCCCCCC)c1.CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3/C=c3/s/c(=C4/SC(=S)N(C)C4=O)n(C)c3=O)cc2)c(OCCCCCC)c1.O=C=O.

What is the InChIKey of carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The InChIKey is KGFDJHUYCZSMRI-OHEGKWBBSA-N. The full InChI is InChI=1S/C72H93N3O5S4.C62H79N3O5S3.CO2/c1-9-16-21-25-41-75-70(77)68(84-72(75)81)71-73(15-7)69(76)65(83-71)50-57-36-39-64(82-57)67-66(54-33-31-53(32-34-54)58-38-35-56(78-43-26-22-17-10-2)49-63(58)80-45-28-24-19-12-4)60(47-52(14-6)29-20-13-5)61-48-55(40-42-74(61)67)59-37-30-51(8)46-62(59)79-44-27-23-18-11-3;1-9-14-18-21-35-68-48-30-32-49(55(41-48)70-37-23-20-16-11-3)45-26-28-46(29-27-45)57-51(39-44(13-5)24-17-12-4)52-40-47(50-31-25-43(6)38-54(50)69-36-22-19-15-10-2)33-34-65(52)53(57)42-56-59(66)63(7)61(72-56)58-60(67)64(8)62(71)73-58;2-1-3/h30-40,42,46,48-50,52H,9-29,41,43-45,47H2,1-8H3;25-34,38,40-42,44H,9-24,35-37,39H2,1-8H3;/b65-50-,71-68+;56-42+,61-58+;.

What are the key properties of carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 2295.36 g/mol, XLogP of 33.72, 63 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;(2E,5E)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]methylidene]-3-methyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one;(2E,5Z)-5-[[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]methylidene]-3-ethyl-2-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 159125412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).