2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C24H23N7O — CID 3507497

IUPAC2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOc1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H23N7O/c1-2-32-21-16-10-9-11-18(21)17-25-31-24-29-22(26-19-12-5-3-6-13-19)28-23(30-24)27-20-14-7-4-8-15-20/h3-17H,2H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyNHVSBZZENAFUNC-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.20
Rot. Bonds9

About 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 3507497) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID3507497
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCCOc1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C24H23N7O/c1-2-32-21-16-10-9-11-18(21)17-25-31-24-29-22(26-19-12-5-3-6-13-19)28-23(30-24)27-20-14-7-4-8-15-20/h3-17H,2H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyNHVSBZZENAFUNC-UHFFFAOYSA-N
XLogP5.20
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 3507497) is 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CCOc1ccccc1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NHVSBZZENAFUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-32-21-16-10-9-11-18(21)17-25-31-24-29-22(26-19-12-5-3-6-13-19)28-23(30-24)27-20-14-7-4-8-15-20/h3-17H,2H2,1H3,(H3,26,27,28,29,30,31).
What are the key properties of 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 425.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3507497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).