bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate

C62H88N4O4Pd2 — CID 139128645

About bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate

bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate (PubChem CID 139128645) has the molecular formula C62H88N4O4Pd2 and a molecular weight of 1166.25 g/mol. Its IUPAC name is bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate.

Molecular Properties

• Compound Name: bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
• PubChem CID: 139128645
• Molecular Formula: C62H88N4O4Pd2
• Molecular Weight: 1166.25 g/mol
• Exact Mass: 1164.49
• IUPAC Name: bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
• SMILES: C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]
• InChI: InChI=1S/2C29H41N2.2C2H4O2.2Pd/c2*1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;2*1-2(3)4;;/h2*11-21H,1-10H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2/b2*22-17-,31-23+
• InChIKey: CAYNOZKRYZIWJC-MNWBCHASSA-L
• XLogP: 17.27
• TPSA: 133.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.25
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate?

The IUPAC name of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate (CID 139128645) is bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate.

What is the SMILES notation for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate?

The canonical SMILES for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2].

What is the InChIKey of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate?

The InChIKey is CAYNOZKRYZIWJC-MNWBCHASSA-L. The full InChI is InChI=1S/2C29H41N2.2C2H4O2.2Pd/c2*1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8;2*1-2(3)4;;/h2*11-21H,1-10H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2/b2*22-17-,31-23+;;;;.

What are the key properties of bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate?

bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate has a molecular weight of 1166.25 g/mol, XLogP of 17.27, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate is sourced from PubChem (CID 139128645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).