(N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate

C31H21N7O2-2 — CID 102083866

About (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate

(N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate (PubChem CID 102083866) has the molecular formula C31H21N7O2-2 and a molecular weight of 523.56 g/mol. Its IUPAC name is (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate.

Molecular Properties

• Compound Name: (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate
• PubChem CID: 102083866
• Molecular Formula: C31H21N7O2-2
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.18
• IUPAC Name: (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate
• SMILES: [O-]C(=N/N=C(/c1ccccc1)c1ccccn1)c1cccc(C([O-])=N/N=C(/c2ccccc2)c2ccccn2)n1
• InChI: InChI=1S/C31H23N7O2/c39-30(37-35-28(22-12-3-1-4-13-22)24-16-7-9-20-32-24)26-18-11-19-27(34-26)31(40)38-36-29(23-14-5-2-6-15-23)25-17-8-10-21-33-25/h1-21H,(H,37,39)(H,38,40)/p-2/b35-28-,36-29-
• InChIKey: QCZUBVRFJRFXAF-UAHAWRDQSA-L
• XLogP: 2.99
• TPSA: 134.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate?

The IUPAC name of (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate (CID 102083866) is (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate.

What is the SMILES notation for (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate?

The canonical SMILES for (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate is [O-]C(=N/N=C(/c1ccccc1)c1ccccn1)c1cccc(C([O-])=N/N=C(/c2ccccc2)c2ccccn2)n1.

What is the InChIKey of (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate?

The InChIKey is QCZUBVRFJRFXAF-UAHAWRDQSA-L. The full InChI is InChI=1S/C31H23N7O2/c39-30(37-35-28(22-12-3-1-4-13-22)24-16-7-9-20-32-24)26-18-11-19-27(34-26)31(40)38-36-29(23-14-5-2-6-15-23)25-17-8-10-21-33-25/h1-21H,(H,37,39)(H,38,40)/p-2/b35-28-,36-29-.

What are the key properties of (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate?

(N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate has a molecular weight of 523.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (N2Z,N6Z)-2-N,6-N-bis[phenyl(pyridin-2-yl)methylidene]pyridine-2,6-dicarbohydrazonate is sourced from PubChem (CID 102083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).