1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

C29H30N4O5 — CID 3442233

About 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone

1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (PubChem CID 3442233) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
• PubChem CID: 3442233
• Molecular Formula: C29H30N4O5
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.22
• IUPAC Name: 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
• SMILES: C=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)CC3c4ccccc4-c4ccccc43)CCO2)n1
• InChI: InChI=1S/C29H30N4O5/c1-3-14-36-27-30-28(37-15-4-2)32-29(31-27)38-19-20-18-33(13-16-35-20)26(34)17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h3-12,20,25H,1-2,13-19H2
• InChIKey: CKPVYAMYWKCNFD-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 95.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?

The IUPAC name of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone (CID 3442233) is 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone.

What is the SMILES notation for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?

The canonical SMILES for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is C=CCOc1nc(OCC=C)nc(OCC2CN(C(=O)CC3c4ccccc4-c4ccccc43)CCO2)n1.

What is the InChIKey of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?

The InChIKey is CKPVYAMYWKCNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-3-14-36-27-30-28(37-15-4-2)32-29(31-27)38-19-20-18-33(13-16-35-20)26(34)17-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h3-12,20,25H,1-2,13-19H2.

What are the key properties of 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone?

1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone has a molecular weight of 514.58 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 3442233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).