(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

C139H182N6O9S7 — CID 160689525

IUPAC(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
SMILESCCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3c(-c4ccc(-c5ccc(OCCCCCC)cc5OCCCCCC)cc4)c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5C)ccn34)c(=O)n2CC)SC1=S.CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc(-c4c(-c5ccc(-c6ccc(OCCCCCC)cc6OCCCCCC)cc5)c(CC(CC)CCCC)c5cc(-c6ccc(C)cc6OCCCCCC)ccn45)s3)c(=O)n2CC)SC1=S
InChIInChI=1S/C74H97N3O5S4.C65H85N3O4S3/c1-9-16-21-25-26-27-43-77-72(79)70(86-74(77)83)73-75(15-7)71(78)67(85-73)52-59-38-41-66(84-59)69-68(56-35-33-55(34-36-56)60-40-37-58(80-45-28-22-17-10-2)51-65(60)82-47-30-24-19-12-4)62(49-54(14-6)31-20-13-5)63-50-57(42-44-76(63)69)61-39-32-53(8)48-64(61)81-46-29-23-18-11-3;1-9-15-19-22-23-24-37-68-63(70)61(75-65(68)73)64-66(14-6)62(69)59(74-64)45-57-60(55(42-48(13-5)27-18-12-4)56-43-51(36-38-67(56)57)53-34-28-46(7)41-47(53)8)50-31-29-49(30-32-50)54-35-33-52(71-39-25-20-16-10-2)44-58(54)72-40-26-21-17-11-3/h32-42,44,48,50-52,54H,9-31,43,45-47,49H2,1-8H3;28-36,38,41,43-45,48H,9-27,37,39-40,42H2,1-8H3/b67-52-,73-70+;59-45-,64-61+
InChIKeyRPFLQTCCNIJLCJ-ILJUZUFPSA-N
MW2305.49 g/mol
LogP36.65
Rot. Bonds67

About (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (PubChem CID 160689525) has the molecular formula C139H182N6O9S7 and a molecular weight of 2305.49 g/mol. Its IUPAC name is (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
PubChem CID160689525
Molecular FormulaC139H182N6O9S7
Molecular Weight2305.49 g/mol
Exact Mass2303.20
IUPAC Name(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
SMILESCCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3c(-c4ccc(-c5ccc(OCCCCCC)cc5OCCCCCC)cc4)c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5C)ccn34)c(=O)n2CC)SC1=S.CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc(-c4c(-c5ccc(-c6ccc(OCCCCCC)cc6OCCCCCC)cc5)c(CC(CC)CCCC)c5cc(-c6ccc(C)cc6OCCCCCC)ccn45)s3)c(=O)n2CC)SC1=S
InChIInChI=1S/C74H97N3O5S4.C65H85N3O4S3/c1-9-16-21-25-26-27-43-77-72(79)70(86-74(77)83)73-75(15-7)71(78)67(85-73)52-59-38-41-66(84-59)69-68(56-35-33-55(34-36-56)60-40-37-58(80-45-28-22-17-10-2)51-65(60)82-47-30-24-19-12-4)62(49-54(14-6)31-20-13-5)63-50-57(42-44-76(63)69)61-39-32-53(8)48-64(61)81-46-29-23-18-11-3;1-9-15-19-22-23-24-37-68-63(70)61(75-65(68)73)64-66(14-6)62(69)59(74-64)45-57-60(55(42-48(13-5)27-18-12-4)56-43-51(36-38-67(56)57)53-34-28-46(7)41-47(53)8)50-31-29-49(30-32-50)54-35-33-52(71-39-25-20-16-10-2)44-58(54)72-40-26-21-17-11-3/h32-42,44,48,50-52,54H,9-31,43,45-47,49H2,1-8H3;28-36,38,41,43-45,48H,9-27,37,39-40,42H2,1-8H3/b67-52-,73-70+;59-45-,64-61+
InChIKeyRPFLQTCCNIJLCJ-ILJUZUFPSA-N
XLogP36.65
TPSA139.59 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds67
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.49
LogP ≤ 536.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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'}

Analyze (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (CID 160689525) is (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3c(-c4ccc(-c5ccc(OCCCCCC)cc5OCCCCCC)cc4)c(CC(CC)CCCC)c4cc(-c5ccc(C)cc5C)ccn34)c(=O)n2CC)SC1=S.CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc(-c4c(-c5ccc(-c6ccc(OCCCCCC)cc6OCCCCCC)cc5)c(CC(CC)CCCC)c5cc(-c6ccc(C)cc6OCCCCCC)ccn45)s3)c(=O)n2CC)SC1=S.
What is the InChIKey of (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?
The InChIKey is RPFLQTCCNIJLCJ-ILJUZUFPSA-N. The full InChI is InChI=1S/C74H97N3O5S4.C65H85N3O4S3/c1-9-16-21-25-26-27-43-77-72(79)70(86-74(77)83)73-75(15-7)71(78)67(85-73)52-59-38-41-66(84-59)69-68(56-35-33-55(34-36-56)60-40-37-58(80-45-28-22-17-10-2)51-65(60)82-47-30-24-19-12-4)62(49-54(14-6)31-20-13-5)63-50-57(42-44-76(63)69)61-39-32-53(8)48-64(61)81-46-29-23-18-11-3;1-9-15-19-22-23-24-37-68-63(70)61(75-65(68)73)64-66(14-6)62(69)59(74-64)45-57-60(55(42-48(13-5)27-18-12-4)56-43-51(36-38-67(56)57)53-34-28-46(7)41-47(53)8)50-31-29-49(30-32-50)54-35-33-52(71-39-25-20-16-10-2)44-58(54)72-40-26-21-17-11-3/h32-42,44,48,50-52,54H,9-31,43,45-47,49H2,1-8H3;28-36,38,41,43-45,48H,9-27,37,39-40,42H2,1-8H3/b67-52-,73-70+;59-45-,64-61+.
What are the key properties of (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 2305.49 g/mol, XLogP of 36.65, 67 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[[2-[4-(2,4-dihexoxyphenyl)phenyl]-7-(2,4-dimethylphenyl)-1-(2-ethylhexyl)indolizin-3-yl]methylidene]-3-ethyl-2-(3-octyl-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-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 160689525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).