[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene

C26H28N4OS — CID 118528756

IUPAC[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
SMILESc1cc(-c2ccc(N3CCOCC3)cc2)ccc1/N=N/c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C26H28N4OS/c1-5-23(27-28-24-7-11-26(12-8-24)30-15-19-32-20-16-30)6-2-21(1)22-3-9-25(10-4-22)29-13-17-31-18-14-29/h1-12H,13-20H2/b28-27+
InChIKeyIELQUYDBCBMUFO-BYYHNAKLSA-N
MW444.60 g/mol
LogP6.16
Rot. Bonds5

About [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene

[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene (PubChem CID 118528756) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene.

Molecular Properties

Compound Name[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
PubChem CID118528756
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
SMILESc1cc(-c2ccc(N3CCOCC3)cc2)ccc1/N=N/c1ccc(N2CCSCC2)cc1
InChIInChI=1S/C26H28N4OS/c1-5-23(27-28-24-7-11-26(12-8-24)30-15-19-32-20-16-30)6-2-21(1)22-3-9-25(10-4-22)29-13-17-31-18-14-29/h1-12H,13-20H2/b28-27+
InChIKeyIELQUYDBCBMUFO-BYYHNAKLSA-N
XLogP6.16
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene?
The IUPAC name of [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene (CID 118528756) is [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene.
What is the SMILES notation for [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene?
The canonical SMILES for [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene is c1cc(-c2ccc(N3CCOCC3)cc2)ccc1/N=N/c1ccc(N2CCSCC2)cc1.
What is the InChIKey of [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene?
The InChIKey is IELQUYDBCBMUFO-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-5-23(27-28-24-7-11-26(12-8-24)30-15-19-32-20-16-30)6-2-21(1)22-3-9-25(10-4-22)29-13-17-31-18-14-29/h1-12H,13-20H2/b28-27+.
What are the key properties of [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene?
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene has a molecular weight of 444.60 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene is sourced from PubChem (CID 118528756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).