4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine

C27H27N7O2 — CID 170922711

IUPAC4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(COc2ccccc2C/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C27H27N7O2/c1-3-9-21(10-4-1)20-36-24-14-8-7-11-22(24)19-28-33-26-30-25(29-23-12-5-2-6-13-23)31-27(32-26)34-15-17-35-18-16-34/h1-14H,15-20H2,(H,29,30,31,32)/b33-28+
InChIKeyJGJMKSXYKZEDNZ-PJJLUWSFSA-N
MW481.56 g/mol
LogP5.31
Rot. Bonds9

About 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine (PubChem CID 170922711) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine
PubChem CID170922711
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(COc2ccccc2C/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C27H27N7O2/c1-3-9-21(10-4-1)20-36-24-14-8-7-11-22(24)19-28-33-26-30-25(29-23-12-5-2-6-13-23)31-27(32-26)34-15-17-35-18-16-34/h1-14H,15-20H2,(H,29,30,31,32)/b33-28+
InChIKeyJGJMKSXYKZEDNZ-PJJLUWSFSA-N
XLogP5.31
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine (CID 170922711) is 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine is c1ccc(COc2ccccc2C/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine?
The InChIKey is JGJMKSXYKZEDNZ-PJJLUWSFSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-3-9-21(10-4-1)20-36-24-14-8-7-11-22(24)19-28-33-26-30-25(29-23-12-5-2-6-13-23)31-27(32-26)34-15-17-35-18-16-34/h1-14H,15-20H2,(H,29,30,31,32)/b33-28+.
What are the key properties of 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine has a molecular weight of 481.56 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-phenyl-6-[(2-phenylmethoxyphenyl)methyldiazenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 170922711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).