bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))

C34H26N6O4Pt2 — CID 139142621

IUPACbis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pt+2].[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/2C11H9N3.2C6H6O2.2Pt/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2*7-5-3-1-2-4-6(5)8;;/h2*1-9H;2*1-4,7-8H;;/q;;;;2*+2/p-4/b2*14-13+;;;;
InChIKeyKRAWJBUXLXQIGW-ZRVBCOBJSA-J
MW972.78 g/mol
LogP6.66
Rot. Bonds4

About bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))

bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) (PubChem CID 139142621) has the molecular formula C34H26N6O4Pt2 and a molecular weight of 972.78 g/mol. Its IUPAC name is bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)).

Molecular Properties

Compound Namebis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
PubChem CID139142621
Molecular FormulaC34H26N6O4Pt2
Molecular Weight972.78 g/mol
Exact Mass972.13
IUPAC Namebis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pt+2].[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/2C11H9N3.2C6H6O2.2Pt/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2*7-5-3-1-2-4-6(5)8;;/h2*1-9H;2*1-4,7-8H;;/q;;;;2*+2/p-4/b2*14-13+;;;;
InChIKeyKRAWJBUXLXQIGW-ZRVBCOBJSA-J
XLogP6.66
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.78
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Bis(3,5-ditert-butylbenzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))
CID 139149563
CID 102496353
CID 102496353

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?
The IUPAC name of bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) (CID 139142621) is bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)).
What is the SMILES notation for bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?
The canonical SMILES for bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) is [O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pt+2].[Pt+2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?
The InChIKey is KRAWJBUXLXQIGW-ZRVBCOBJSA-J. The full InChI is InChI=1S/2C11H9N3.2C6H6O2.2Pt/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2*7-5-3-1-2-4-6(5)8;;/h2*1-9H;2*1-4,7-8H;;/q;;;;2*+2/p-4/b2*14-13+;;;;.
What are the key properties of bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+))?
bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) has a molecular weight of 972.78 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,2-diolate);bis(phenyl(pyridin-2-yl)diazene);bis(platinum(2+)) is sourced from PubChem (CID 139142621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).