3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)

C25H26NY — CID 176637647

About 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)

3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+) (PubChem CID 176637647) has the molecular formula C25H26NY and a molecular weight of 429.40 g/mol. Its IUPAC name is 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+).

Molecular Properties

• Compound Name: 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)
• PubChem CID: 176637647
• Molecular Formula: C25H26NY
• Molecular Weight: 429.40 g/mol
• Exact Mass: 429.11
• IUPAC Name: 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)
• SMILES: C[CH-]CC(C)c1[c-]c(-c2cccnc2-c2[c-]cccc2)ccc1C(C)C.[Y+3]
• InChI: InChI=1S/C25H26N.Y/c1-5-10-19(4)24-17-21(14-15-22(24)18(2)3)23-13-9-16-26-25(23)20-11-7-6-8-12-20;/h5-9,11,13-16,18-19H,10H2,1-4H3;/q-3;+3
• InChIKey: JTTAAEFHDCDUQM-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.40
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)?

The IUPAC name of 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+) (CID 176637647) is 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+).

What is the SMILES notation for 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)?

The canonical SMILES for 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+) is C[CH-]CC(C)c1[c-]c(-c2cccnc2-c2[c-]cccc2)ccc1C(C)C.[Y+3].

What is the InChIKey of 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)?

The InChIKey is JTTAAEFHDCDUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N.Y/c1-5-10-19(4)24-17-21(14-15-22(24)18(2)3)23-13-9-16-26-25(23)20-11-7-6-8-12-20;/h5-9,11,13-16,18-19H,10H2,1-4H3;/q-3;+3.

What are the key properties of 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+)?

3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+) has a molecular weight of 429.40 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-pentan-2-yl-4-propan-2-ylbenzene-2-id-1-yl)-2-phenylpyridine;yttrium(3+) is sourced from PubChem (CID 176637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).