bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))

C50H58N6O4Pt2 — CID 139149563

About bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))

bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) (PubChem CID 139149563) has the molecular formula C50H58N6O4Pt2 and a molecular weight of 1197.21 g/mol. Its IUPAC name is bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)).

Molecular Properties

• Compound Name: bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
• PubChem CID: 139149563
• Molecular Formula: C50H58N6O4Pt2
• Molecular Weight: 1197.21 g/mol
• Exact Mass: 1196.38
• IUPAC Name: bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
• SMILES: CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.[Pt+2].[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
• InChI: InChI=1S/2C14H22O2.2C11H9N3.2Pt/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;/h2*7-8,15-16H,1-6H3;2*1-9H;;/q;;;;2*+2/p-4/b;;2*14-13+
• InChIKey: WZKNWFZKOJYIOX-SRJBBYHOSA-J
• XLogP: 11.85
• TPSA: 167.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.21
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?

The IUPAC name of bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) (CID 139149563) is bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)).

What is the SMILES notation for bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?

The canonical SMILES for bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) is CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc([O-])c([O-])c(C(C)(C)C)c1.[Pt+2].[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.

What is the InChIKey of bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?

The InChIKey is WZKNWFZKOJYIOX-SRJBBYHOSA-J. The full InChI is InChI=1S/2C14H22O2.2C11H9N3.2Pt/c2*1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;/h2*7-8,15-16H,1-6H3;2*1-9H;;/q;;;;2*+2/p-4/b;;2*14-13+;;.

What are the key properties of bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?

bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) has a molecular weight of 1197.21 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) is sourced from PubChem (CID 139149563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).