(3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol

C23H22N4O — CID 144914672

About (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol

(3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol (PubChem CID 144914672) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol.

Molecular Properties

• Compound Name: (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol
• PubChem CID: 144914672
• Molecular Formula: C23H22N4O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.18
• IUPAC Name: (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol
• SMILES: C=C(O)/C=C(\C)N(C(=C)C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C23H22N4O/c1-16(2)27(17(3)15-18(4)28)23-25-21(19-11-7-5-8-12-19)24-22(26-23)20-13-9-6-10-14-20/h5-15,28H,1,4H2,2-3H3/b17-15+
• InChIKey: CBYLWLQGIWITIL-BMRADRMJSA-N
• XLogP: 5.52
• TPSA: 62.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol?

The IUPAC name of (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol (CID 144914672) is (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol.

What is the SMILES notation for (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol?

The canonical SMILES for (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol is C=C(O)/C=C(\C)N(C(=C)C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol?

The InChIKey is CBYLWLQGIWITIL-BMRADRMJSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16(2)27(17(3)15-18(4)28)23-25-21(19-11-7-5-8-12-19)24-22(26-23)20-13-9-6-10-14-20/h5-15,28H,1,4H2,2-3H3/b17-15+.

What are the key properties of (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol?

(3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol has a molecular weight of 370.46 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-4-[(4,6-diphenyl-1,3,5-triazin-2-yl)-prop-1-en-2-ylamino]penta-1,3-dien-2-ol is sourced from PubChem (CID 144914672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).