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

C44H46N4O4S4+2 — CID 43833620

IUPAC4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine
SMILESC1=C/C(=C(/c2ccc3cc(/C(=C4/C=CC(=[N+]5CCOCC5)S4)c4ccc(N5CCOCC5)s4)ccc3c2)c2ccc(N3CCOCC3)s2)SC1=[N+]1CCOCC1
InChIInChI=1S/C44H46N4O4S4/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/h1-12,29-30H,13-28H2/q+2
InChIKeyVRIKKQASDZJAOS-UHFFFAOYSA-N
MW823.14 g/mol
LogP7.64
Rot. Bonds6

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

4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine (PubChem CID 43833620) has the molecular formula C44H46N4O4S4+2 and a molecular weight of 823.14 g/mol. Its IUPAC name is 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine
PubChem CID43833620
Molecular FormulaC44H46N4O4S4+2
Molecular Weight823.14 g/mol
Exact Mass822.24
IUPAC Name4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine
SMILESC1=C/C(=C(/c2ccc3cc(/C(=C4/C=CC(=[N+]5CCOCC5)S4)c4ccc(N5CCOCC5)s4)ccc3c2)c2ccc(N3CCOCC3)s2)SC1=[N+]1CCOCC1
InChIInChI=1S/C44H46N4O4S4/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/h1-12,29-30H,13-28H2/q+2
InChIKeyVRIKKQASDZJAOS-UHFFFAOYSA-N
XLogP7.64
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.14
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine with MolForge

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Related Compounds

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
4-[5-[(Z)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[4-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]phenyl]methyl]thiophen-2-yl]morpholine
CID 177482580
4-[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]morpholin-4-ium
CID 27126680
4-[5-[(1E,2E)-1,2-bis(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-2-(5-morpholin-4-ylthiophen-2-yl)ethyl]thiophen-2-yl]morpholine
CID 43833624
4-[5-[(1Z,2Z)-1,2-bis(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-2-(5-morpholin-4-ylthiophen-2-yl)ethyl]thiophen-2-yl]morpholine
CID 177416644
4-[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]-1,3-thiazol-2-ylidene]morpholin-4-ium perchlorate
CID 43833584
4-[5-[(Z)-methylsulfanyl-(2-morpholin-4-ium-4-ylidene-1,3-thiazol-5-ylidene)methyl]thiophen-2-yl]morpholine iodide
CID 43833609
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
4-hydroxy-2-(5-morpholin-4-ium-4-ylidene-2H-thiophen-2-yl)-5-(5-morpholin-4-ylthiophen-2-yl)cyclopent-4-ene-1,3-dione
CID 59157079
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
CID 121427368
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine?
The IUPAC name of 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine (CID 43833620) is 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine?
The canonical SMILES for 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine is C1=C/C(=C(/c2ccc3cc(/C(=C4/C=CC(=[N+]5CCOCC5)S4)c4ccc(N5CCOCC5)s4)ccc3c2)c2ccc(N3CCOCC3)s2)SC1=[N+]1CCOCC1.
What is the InChIKey of 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine?
The InChIKey is VRIKKQASDZJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N4O4S4/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/h1-12,29-30H,13-28H2/q+2.
What are the key properties of 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine?
4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine has a molecular weight of 823.14 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-[6-[(E)-(5-morpholin-4-ium-4-ylidenethiophen-2-ylidene)-(5-morpholin-4-ylthiophen-2-yl)methyl]naphthalen-2-yl]methyl]thiophen-2-yl]morpholine is sourced from PubChem (CID 43833620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).