CID 71507870

C₂₈H₃₉N₂Y+ — CID 71507870

About CID 71507870

CID 71507870 (PubChem CID 71507870) has the molecular formula C₂₈H₃₉N₂Y+ and a molecular weight of 492.54 g/mol.

Molecular Properties

• Compound Name: CID 71507870
• PubChem CID: 71507870
• Molecular Formula: C₂₈H₃₉N₂Y+
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.22
• IUPAC Name: —
• SMILES: C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Y+3]
• InChI: InChI=1S/C10H15.2C9H12N.Y/c1-6-7(2)9(4)10(5)8(6)3;2*1-8-6-4-5-7-9(8)10(2)3;/h1-5H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3
• InChIKey: MGMJSEJPPVATEX-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 71507870?

The IUPAC name of CID 71507870 (CID 71507870) is not available.

What is the SMILES notation for CID 71507870?

The canonical SMILES for CID 71507870 is C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Y+3].

What is the InChIKey of CID 71507870?

The InChIKey is MGMJSEJPPVATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2C9H12N.Y/c1-6-7(2)9(4)10(5)8(6)3;2*1-8-6-4-5-7-9(8)10(2)3;/h1-5H3;2*4-7H,1H2,2-3H3;/q;2*-1;+3.

What are the key properties of CID 71507870?

CID 71507870 has a molecular weight of 492.54 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 71507870 is sourced from PubChem (CID 71507870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71507870 — identifiers, structure, computed properties (public domain)

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