CID 155728412

C₂₆H₂₇FIN₄O₂- — CID 155728412

About CID 155728412

CID 155728412 (PubChem CID 155728412) has the molecular formula C₂₆H₂₇FIN₄O₂- and a molecular weight of 573.43 g/mol.

Molecular Properties

• Compound Name: CID 155728412
• PubChem CID: 155728412
• Molecular Formula: C₂₆H₂₇FIN₄O₂-
• Molecular Weight: 573.43 g/mol
• Exact Mass: 573.12
• IUPAC Name: —
• SMILES: CCOC(C)COc1cc(-c2ccc(F)cc2)cc2c(NCC3=C[I-]N=C(C)C=C3)ncnc12
• InChI: InChI=1S/C26H27FIN4O2/c1-4-33-18(3)15-34-24-12-21(20-7-9-22(27)10-8-20)11-23-25(24)30-16-31-26(23)29-14-19-6-5-17(2)32-28-13-19/h5-13,16,18H,4,14-15H2,1-3H3,(H,29,30,31)/q-1
• InChIKey: PZKXXEPCKIAUMT-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 68.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 155728412?

The IUPAC name of CID 155728412 (CID 155728412) is not available.

What is the SMILES notation for CID 155728412?

The canonical SMILES for CID 155728412 is CCOC(C)COc1cc(-c2ccc(F)cc2)cc2c(NCC3=C[I-]N=C(C)C=C3)ncnc12.

What is the InChIKey of CID 155728412?

The InChIKey is PZKXXEPCKIAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FIN4O2/c1-4-33-18(3)15-34-24-12-21(20-7-9-22(27)10-8-20)11-23-25(24)30-16-31-26(23)29-14-19-6-5-17(2)32-28-13-19/h5-13,16,18H,4,14-15H2,1-3H3,(H,29,30,31)/q-1.

What are the key properties of CID 155728412?

CID 155728412 has a molecular weight of 573.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 155728412 is sourced from PubChem (CID 155728412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155728412 — identifiers, structure, computed properties (public domain)

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