4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate

C44H46Cl2N4O12S4 — CID 74895308

About 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate

4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate (PubChem CID 74895308) has the molecular formula C44H46Cl2N4O12S4 and a molecular weight of 1022.04 g/mol. Its IUPAC name is 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate.

Molecular Properties

• Compound Name: 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate
• PubChem CID: 74895308
• Molecular Formula: C44H46Cl2N4O12S4
• Molecular Weight: 1022.04 g/mol
• Exact Mass: 1020.14
• IUPAC Name: 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate
• SMILES: C1=CC(=[N+]2CCOCC2)SC1=C(c1ccc2cc(C(=C3C=CC(=[N+]4CCOCC4)S3)c3ccc(N4CCOCC4)s3)ccc2c1)c1ccc(N2CCOCC2)s1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C44H46N4O4S4.2ClHO4/c1-3-33(43(35-5-9-39(53-35)45-13-21-49-22-14-45)36-6-10-40(54-36)46-15-23-50-24-16-46)30-32-2-4-34(29-31(1)32)44(37-7-11-41(55-37)47-17-25-51-26-18-47)38-8-12-42(56-38)48-19-27-52-28-20-48;2*2-1(3,4)5/h1-12,29-30H,13-28H2;2*(H,2,3,4,5)/q+2;;/p-2
• InChIKey: UABSZAUGMWBKNH-UHFFFAOYSA-L
• XLogP: -1.87
• TPSA: 233.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.04
LogP ≤ 5	-1.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate?

The IUPAC name of 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate (CID 74895308) is 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate.

What is the SMILES notation for 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate?

The canonical SMILES for 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate is C1=CC(=[N+]2CCOCC2)SC1=C(c1ccc2cc(C(=C3C=CC(=[N+]4CCOCC4)S3)c3ccc(N4CCOCC4)s3)ccc2c1)c1ccc(N2CCOCC2)s1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate?

The InChIKey is UABSZAUGMWBKNH-UHFFFAOYSA-L. The full InChI is InChI=1S/C44H46N4O4S4.2ClHO4/c1-3-33(43(35-5-9-39(53-35)45-13-21-49-22-14-45)36-6-10-40(54-36)46-15-23-50-24-16-46)30-32-2-4-34(29-31(1)32)44(37-7-11-41(55-37)47-17-25-51-26-18-47)38-8-12-42(56-38)48-19-27-52-28-20-48;2*2-1(3,4)5/h1-12,29-30H,13-28H2;2*(H,2,3,4,5)/q+2;;/p-2.

What are the key properties of 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate?

4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate has a molecular weight of 1022.04 g/mol, XLogP of -1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine diperchlorate is sourced from PubChem (CID 74895308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).