1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine

C20H23N3O3 — CID 123331512

IUPAC1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine
SMILESCONC(=C=C(NOC)c1ccccc1)C=C(NOC)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-24-21-18(14-19(22-25-2)16-10-6-4-7-11-16)15-20(23-26-3)17-12-8-5-9-13-17/h4-14,21-23H,1-3H3
InChIKeyXDGSZIWXTOEOIF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.00
Rot. Bonds9

About 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine

1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine (PubChem CID 123331512) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine
PubChem CID123331512
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine
SMILESCONC(=C=C(NOC)c1ccccc1)C=C(NOC)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-24-21-18(14-19(22-25-2)16-10-6-4-7-11-16)15-20(23-26-3)17-12-8-5-9-13-17/h4-14,21-23H,1-3H3
InChIKeyXDGSZIWXTOEOIF-UHFFFAOYSA-N
XLogP3.00
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine (CID 123331512) is 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine is CONC(=C=C(NOC)c1ccccc1)C=C(NOC)c1ccccc1.
What is the InChIKey of 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine?
The InChIKey is XDGSZIWXTOEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-24-21-18(14-19(22-25-2)16-10-6-4-7-11-16)15-20(23-26-3)17-12-8-5-9-13-17/h4-14,21-23H,1-3H3.
What are the key properties of 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine?
1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine has a molecular weight of 353.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine is sourced from PubChem (CID 123331512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).