(2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate

C180H273Cl3I2N12O14S6+2 — CID 157457096

About (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate

(2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate (PubChem CID 157457096) has the molecular formula C180H273Cl3I2N12O14S6+2 and a molecular weight of 3381.80 g/mol. Its IUPAC name is (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate.

Molecular Properties

• Compound Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate
• PubChem CID: 157457096
• Molecular Formula: C180H273Cl3I2N12O14S6+2
• Molecular Weight: 3381.80 g/mol
• Exact Mass: 3377.65
• IUPAC Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate
• SMILES: CCCCCCCCCCCCCCCCCCN1/C(=C/c2oc3ccccc3[n+]2CCCCCCCCCCCCCCCCCC)Oc2ccccc21.CCCCCCCCCCN1C(C)=CS/C1=C\C=C(\C=C\c1scc(C)[n+]1CCCCCCCCCC)c1scc(C)[n+]1CCCCCCCCCC.CCCCCN1/C(=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CCCCCN1C(C)=CS/C1=C\C=C(\C=C\c1scc(C)[n+]1CCCCC)c1scc(C)[n+]1CCCCC.CN1/C(=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C51H83N2O2.C47H79N3S3.C32H49N3S3.C27H35N2.C23H27N2.3ClHO4.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-43-52-46-39-33-35-41-48(46)54-50(52)45-51-53(47-40-34-36-42-49(47)55-51)44-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-10-13-16-19-22-25-28-35-48-41(4)38-51-45(48)33-31-44(47-50(43(6)40-53-47)37-30-27-24-21-18-15-12-9-3)32-34-46-49(42(5)39-52-46)36-29-26-23-20-17-14-11-8-2;1-7-10-13-20-33-26(4)23-36-30(33)18-16-29(32-35(22-15-12-9-3)28(6)25-38-32)17-19-31-34(21-14-11-8-2)27(5)24-37-31;1-7-8-13-18-29-23-17-12-10-15-21(23)27(4,5)25(29)19-24-26(2,3)20-14-9-11-16-22(20)28(24)6;1-22(2)16-11-7-9-13-18(16)24(5)20(22)15-21-23(3,4)17-12-8-10-14-19(17)25(21)6;3*2-1(3,4)5;;/h33-36,39-42,45H,3-32,37-38,43-44H2,1-2H3;31-34,38-40H,7-30,35-37H2,1-6H3;16-19,23-25H,7-15,20-22H2,1-6H3;9-12,14-17,19H,7-8,13,18H2,1-6H3;7-15H,1-6H3;3*(H,2,3,4,5);2*1H/q+1;2*+2;2*+1;;;;;/p-5
• InChIKey: IPLRIQJHJLFLTM-UHFFFAOYSA-I
• XLogP: 32.44
• TPSA: 340.71 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 88
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3381.80
LogP ≤ 5	32.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate?

The IUPAC name of (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate (CID 157457096) is (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate.

What is the SMILES notation for (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate?

The canonical SMILES for (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate is CCCCCCCCCCCCCCCCCCN1/C(=C/c2oc3ccccc3[n+]2CCCCCCCCCCCCCCCCCC)Oc2ccccc21.CCCCCCCCCCN1C(C)=CS/C1=C\C=C(\C=C\c1scc(C)[n+]1CCCCCCCCCC)c1scc(C)[n+]1CCCCCCCCCC.CCCCCN1/C(=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CCCCCN1C(C)=CS/C1=C\C=C(\C=C\c1scc(C)[n+]1CCCCC)c1scc(C)[n+]1CCCCC.CN1/C(=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[I-].[I-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate?

The InChIKey is IPLRIQJHJLFLTM-UHFFFAOYSA-I. The full InChI is InChI=1S/C51H83N2O2.C47H79N3S3.C32H49N3S3.C27H35N2.C23H27N2.3ClHO4.2HI/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-43-52-46-39-33-35-41-48(46)54-50(52)45-51-53(47-40-34-36-42-49(47)55-51)44-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-7-10-13-16-19-22-25-28-35-48-41(4)38-51-45(48)33-31-44(47-50(43(6)40-53-47)37-30-27-24-21-18-15-12-9-3)32-34-46-49(42(5)39-52-46)36-29-26-23-20-17-14-11-8-2;1-7-10-13-20-33-26(4)23-36-30(33)18-16-29(32-35(22-15-12-9-3)28(6)25-38-32)17-19-31-34(21-14-11-8-2)27(5)24-37-31;1-7-8-13-18-29-23-17-12-10-15-21(23)27(4,5)25(29)19-24-26(2,3)20-14-9-11-16-22(20)28(24)6;1-22(2)16-11-7-9-13-18(16)24(5)20(22)15-21-23(3,4)17-12-8-10-14-19(17)25(21)6;3*2-1(3,4)5;;/h33-36,39-42,45H,3-32,37-38,43-44H2,1-2H3;31-34,38-40H,7-30,35-37H2,1-6H3;16-19,23-25H,7-15,20-22H2,1-6H3;9-12,14-17,19H,7-8,13,18H2,1-6H3;7-15H,1-6H3;3*(H,2,3,4,5);2*1H/q+1;2*+2;2*+1;;;;;/p-5.

What are the key properties of (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate?

(2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate has a molecular weight of 3381.80 g/mol, XLogP of 32.44, 88 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(2Z,4E)-3,5-bis(3-decyl-4-methyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-decyl-4-methyl-1,3-thiazole;(2Z)-2-[(2Z,4E)-3,5-bis(4-methyl-3-pentyl-1,3-thiazol-3-ium-2-yl)penta-2,4-dienylidene]-4-methyl-3-pentyl-1,3-thiazole;(2E)-3,3-dimethyl-1-pentyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;(2Z)-3-octadecyl-2-[(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;(2E)-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole;diiodide;triperchlorate is sourced from PubChem (CID 157457096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).