CID 176796322

C26H17N3 — CID 176796322

About CID 176796322

CID 176796322 (PubChem CID 176796322) has the molecular formula C26H17N3 and a molecular weight of 371.44 g/mol.

Molecular Properties

• Compound Name: CID 176796322
• PubChem CID: 176796322
• Molecular Formula: C26H17N3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.14
• IUPAC Name: —
• SMILES: C[n+]1[c-]n(-c2ccccc2)c2cc3c4cccc5c6ccccc6n(c3cc21)c54
• InChI: InChI=1S/C26H17N3/c1-27-16-28(17-8-3-2-4-9-17)25-14-21-20-12-7-11-19-18-10-5-6-13-22(18)29(26(19)20)23(21)15-24(25)27/h2-15H,1H3
• InChIKey: RQQNKBLIPITIPC-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 13.22 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 176796322?

The IUPAC name of CID 176796322 (CID 176796322) is not available.

What is the SMILES notation for CID 176796322?

The canonical SMILES for CID 176796322 is C[n+]1[c-]n(-c2ccccc2)c2cc3c4cccc5c6ccccc6n(c3cc21)c54.

What is the InChIKey of CID 176796322?

The InChIKey is RQQNKBLIPITIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3/c1-27-16-28(17-8-3-2-4-9-17)25-14-21-20-12-7-11-19-18-10-5-6-13-22(18)29(26(19)20)23(21)15-24(25)27/h2-15H,1H3.

What are the key properties of CID 176796322?

CID 176796322 has a molecular weight of 371.44 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 176796322 is sourced from PubChem (CID 176796322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).