methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide

C157H148Cl2I2N18O4S4+2 — CID 157290556

About methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide

methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide (PubChem CID 157290556) has the molecular formula C157H148Cl2I2N18O4S4+2 and a molecular weight of 2804.01 g/mol. Its IUPAC name is methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide.

Molecular Properties

• Compound Name: methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide
• PubChem CID: 157290556
• Molecular Formula: C157H148Cl2I2N18O4S4+2
• Molecular Weight: 2804.01 g/mol
• Exact Mass: 2800.83
• IUPAC Name: methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide
• SMILES: C.C.C.CN1C(=CC=Cc2cc[n+](-c3ccccc3)c(N3CCN(c4cc(C=CC=C5Sc6ccccc6N5C)cc[n+]4-c4ccccc4)CC3)c2)Sc2ccccc21.CN1C(=Cc2cc(N3CCN(c4cc(C=C5Oc6ccccc6N5C)c5ccccc5[n+]4-c4ccccc4)CC3)[n+](-c3ccccc3)c3ccccc23)Oc2ccccc21.COc1ccc2c(C=C3Sc4ccccc4N3C)cc(N3CCN(c4cc(C=C5Sc6ccccc6N5C)c5ccc(OC)cc5[n+]4-c4ccccc4)CC3)[n+](-c3ccccc3)c2c1.[Cl-].[Cl-].[I-].[I-]
• InChI: InChI=1S/C54H48N6O2S2.C52H44N6O2.C48H44N6S2.3CH4.2ClH.2HI/c1-55-45-19-11-13-21-49(45)63-53(55)33-37-31-51(59(39-15-7-5-8-16-39)47-35-41(61-3)23-25-43(37)47)57-27-29-58(30-28-57)52-32-38(34-54-56(2)46-20-12-14-22-50(46)64-54)44-26-24-42(62-4)36-48(44)60(52)40-17-9-6-10-18-40;1-53-45-25-13-15-27-47(45)59-51(53)35-37-33-49(57(39-17-5-3-6-18-39)43-23-11-9-21-41(37)43)55-29-31-56(32-30-55)50-34-38(36-52-54(2)46-26-14-16-28-48(46)60-52)42-22-10-12-24-44(42)58(50)40-19-7-4-8-20-40;1-49-41-21-9-11-23-43(41)55-47(49)25-13-15-37-27-29-53(39-17-5-3-6-18-39)45(35-37)51-31-33-52(34-32-51)46-36-38(28-30-54(46)40-19-7-4-8-20-40)16-14-26-48-50(2)42-22-10-12-24-44(42)56-48;;;;;;;/h5-26,31-36H,27-30H2,1-4H3;3-28,33-36H,29-32H2,1-2H3;3-30,35-36H,31-34H2,1-2H3;3*1H4;4*1H/q3*+2;;;;;;;/p-4
• InChIKey: KPZPGAXLMQEOHV-UHFFFAOYSA-J
• XLogP: 20.18
• TPSA: 99.08 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2804.01
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide?

The IUPAC name of methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide (CID 157290556) is methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide.

What is the SMILES notation for methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide?

The canonical SMILES for methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide is C.C.C.CN1C(=CC=Cc2cc[n+](-c3ccccc3)c(N3CCN(c4cc(C=CC=C5Sc6ccccc6N5C)cc[n+]4-c4ccccc4)CC3)c2)Sc2ccccc21.CN1C(=Cc2cc(N3CCN(c4cc(C=C5Oc6ccccc6N5C)c5ccccc5[n+]4-c4ccccc4)CC3)[n+](-c3ccccc3)c3ccccc23)Oc2ccccc21.COc1ccc2c(C=C3Sc4ccccc4N3C)cc(N3CCN(c4cc(C=C5Sc6ccccc6N5C)c5ccc(OC)cc5[n+]4-c4ccccc4)CC3)[n+](-c3ccccc3)c2c1.[Cl-].[Cl-].[I-].[I-].

What is the InChIKey of methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide?

The InChIKey is KPZPGAXLMQEOHV-UHFFFAOYSA-J. The full InChI is InChI=1S/C54H48N6O2S2.C52H44N6O2.C48H44N6S2.3CH4.2ClH.2HI/c1-55-45-19-11-13-21-49(45)63-53(55)33-37-31-51(59(39-15-7-5-8-16-39)47-35-41(61-3)23-25-43(37)47)57-27-29-58(30-28-57)52-32-38(34-54-56(2)46-20-12-14-22-50(46)64-54)44-26-24-42(62-4)36-48(44)60(52)40-17-9-6-10-18-40;1-53-45-25-13-15-27-47(45)59-51(53)35-37-33-49(57(39-17-5-3-6-18-39)43-23-11-9-21-41(37)43)55-29-31-56(32-30-55)50-34-38(36-52-54(2)46-26-14-16-28-48(46)60-52)42-22-10-12-24-44(42)58(50)40-19-7-4-8-20-40;1-49-41-21-9-11-23-43(41)55-47(49)25-13-15-37-27-29-53(39-17-5-3-6-18-39)45(35-37)51-31-33-52(34-32-51)46-36-38(28-30-54(46)40-19-7-4-8-20-40)16-14-26-48-50(2)42-22-10-12-24-44(42)56-48;;;;;;;/h5-26,31-36H,27-30H2,1-4H3;3-28,33-36H,29-32H2,1-2H3;3-30,35-36H,31-34H2,1-2H3;3*1H4;4*1H/q3*+2;;;;;;;/p-4.

What are the key properties of methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide?

methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide has a molecular weight of 2804.01 g/mol, XLogP of 20.18, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[[7-methoxy-2-[4-[7-methoxy-4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole;3-methyl-2-[3-[2-[4-[4-[3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-phenylpyridin-1-ium-2-yl]piperazin-1-yl]-1-phenylpyridin-1-ium-4-yl]prop-2-enylidene]-1,3-benzothiazole;3-methyl-2-[[2-[4-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]piperazin-1-yl]-1-phenylquinolin-1-ium-4-yl]methylidene]-1,3-benzoxazole;dichloride;diiodide is sourced from PubChem (CID 157290556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).