Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile

C₁₄₇H₁₇₅N₇O₉S₂ — CID 158435942

About Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile

Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile (PubChem CID 158435942) has the molecular formula C₁₄₇H₁₇₅N₇O₉S₂ and a molecular weight of 2248.19 g/mol. Its IUPAC name is carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile.

Molecular Properties

• Compound Name: Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile
• PubChem CID: 158435942
• Molecular Formula: C₁₄₇H₁₇₅N₇O₉S₂
• Molecular Weight: 2248.19 g/mol
• Exact Mass: 2246.29
• IUPAC Name: carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile
• SMILES: CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=C(/C)C#N)nc3)cc2)c(OCCCCCC)c1.CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=C(/C)C#N)s3)cc2)c(OCCCCCC)c1.COc1ccn2c(-c3ccc(/C=C\C#N)s3)c(-c3ccccc3)c(C)c2c1.O=C=O
• InChI: InChI=1S/C62H79N3O3.C61H78N2O3S.C23H18N2OS.CO2/c1-8-13-17-20-36-66-54-31-33-55(60(43-54)68-38-22-19-15-10-3)49-25-27-50(28-26-49)61-57(41-48(12-5)23-16-11-4)58-42-51(56-32-24-46(6)40-59(56)67-37-21-18-14-9-2)34-35-65(58)62(61)52-29-30-53(64-45-52)39-47(7)44-63;1-8-13-17-20-36-64-51-29-32-53(58(43-51)66-38-22-19-15-10-3)48-25-27-49(28-26-48)60-55(41-47(12-5)23-16-11-4)56-42-50(54-31-24-45(6)40-57(54)65-37-21-18-14-9-2)34-35-63(56)61(60)59-33-30-52(67-59)39-46(7)44-62;1-16-20-15-18(26-2)12-14-25(20)23(22(16)17-7-4-3-5-8-17)21-11-10-19(27-21)9-6-13-24;2-1-3/h24-35,39-40,42-43,45,48H,8-23,36-38,41H2,1-7H3;24-35,39-40,42-43,47H,8-23,36-38,41H2,1-7H3;3-12,14-15H,1-2H3;/b47-39-;46-39-;9-6-
• InChIKey: HCFKHOIJXTUNAN-MTYYAZKHSA-N
• XLogP: 42.02
• TPSA: 196.24 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 62
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.19
LogP ≤ 5	42.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The IUPAC name of Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile (CID 158435942) is carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile.

What is the SMILES notation for Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The canonical SMILES for Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile is CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=C(/C)C#N)nc3)cc2)c(OCCCCCC)c1.CCCCCCOc1ccc(-c2ccc(-c3c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5OCCCCCC)ccn4c3-c3ccc(/C=C(/C)C#N)s3)cc2)c(OCCCCCC)c1.COc1ccn2c(-c3ccc(/C=C\C#N)s3)c(-c3ccccc3)c(C)c2c1.O=C=O.

What is the InChIKey of Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The InChIKey is HCFKHOIJXTUNAN-MTYYAZKHSA-N. The full InChI is InChI=1S/C62H79N3O3.C61H78N2O3S.C23H18N2OS.CO2/c1-8-13-17-20-36-66-54-31-33-55(60(43-54)68-38-22-19-15-10-3)49-25-27-50(28-26-49)61-57(41-48(12-5)23-16-11-4)58-42-51(56-32-24-46(6)40-59(56)67-37-21-18-14-9-2)34-35-65(58)62(61)52-29-30-53(64-45-52)39-47(7)44-63;1-8-13-17-20-36-64-51-29-32-53(58(43-51)66-38-22-19-15-10-3)48-25-27-49(28-26-48)60-55(41-47(12-5)23-16-11-4)56-42-50(54-31-24-45(6)40-57(54)65-37-21-18-14-9-2)34-35-63(56)61(60)59-33-30-52(67-59)39-46(7)44-62;1-16-20-15-18(26-2)12-14-25(20)23(22(16)17-7-4-3-5-8-17)21-11-10-19(27-21)9-6-13-24;2-1-3/h24-35,39-40,42-43,45,48H,8-23,36-38,41H2,1-7H3;24-35,39-40,42-43,47H,8-23,36-38,41H2,1-7H3;3-12,14-15H,1-2H3;/b47-39-;46-39-;9-6-;.

What are the key properties of Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile has a molecular weight of 2248.19 g/mol, XLogP of 42.02, 62 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Carbon dioxide;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]-2-pyridinyl]-2-methylprop-2-enenitrile;(Z)-3-[5-[2-[4-(2,4-dihexoxyphenyl)phenyl]-1-(2-ethylhexyl)-7-(2-hexoxy-4-methylphenyl)indolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(7-methoxy-1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile is sourced from PubChem (CID 158435942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158435942 — identifiers, structure, computed properties (public domain)

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