2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine

C23H23NO — CID 154588254

About 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine

2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine (PubChem CID 154588254) has the molecular formula C23H23NO and a molecular weight of 333.47 g/mol. Its IUPAC name is 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine.

Molecular Properties

• Compound Name: 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine
• PubChem CID: 154588254
• Molecular Formula: C23H23NO
• Molecular Weight: 333.47 g/mol
• Exact Mass: 333.20
• IUPAC Name: 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine
• SMILES: [2H]c1nc(C(=C)C=c2oc3ccccc3c2=C)c([2H])c([2H])c1C1([2H])CCCCC1
• InChI: InChI=1S/C23H23NO/c1-16(14-23-17(2)20-10-6-7-11-22(20)25-23)21-13-12-19(15-24-21)18-8-4-3-5-9-18/h6-7,10-15,18H,1-5,8-9H2/i12D,13D,15D,18D
• InChIKey: STUFCCHYQDGTTJ-UXDGKGAESA-N
• XLogP: 4.78
• TPSA: 26.03 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.47
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine?

The IUPAC name of 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine (CID 154588254) is 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine.

What is the SMILES notation for 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine?

The canonical SMILES for 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine is [2H]c1nc(C(=C)C=c2oc3ccccc3c2=C)c([2H])c([2H])c1C1([2H])CCCCC1.

What is the InChIKey of 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine?

The InChIKey is STUFCCHYQDGTTJ-UXDGKGAESA-N. The full InChI is InChI=1S/C23H23NO/c1-16(14-23-17(2)20-10-6-7-11-22(20)25-23)21-13-12-19(15-24-21)18-8-4-3-5-9-18/h6-7,10-15,18H,1-5,8-9H2/i12D,13D,15D,18D.

What are the key properties of 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine?

2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine has a molecular weight of 333.47 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5-trideuterio-3-(1-deuteriocyclohexyl)-6-[3-(3-methylidene-1-benzofuran-2-ylidene)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 154588254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).