palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)

C32H16Br6N4O2Pd — CID 139088105

IUPACpalladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)
SMILES[O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[Pd+2]
InChIInChI=1S/2C16H9Br3N2O.Pd/c2*17-10-7-12(18)16(13(19)8-10)21-20-15-11-4-2-1-3-9(11)5-6-14(15)22;/h2*1-8,22H;/q;;+2/p-2/b2*21-20+;
InChIKeyMYFRJQLDEGDKMK-SQMNQOOUSA-L
MW1074.35 g/mol
LogP13.23
Rot. Bonds4

About palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)

palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate) (PubChem CID 139088105) has the molecular formula C32H16Br6N4O2Pd and a molecular weight of 1074.35 g/mol. Its IUPAC name is palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate).

Molecular Properties

Compound Namepalladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)
PubChem CID139088105
Molecular FormulaC32H16Br6N4O2Pd
Molecular Weight1074.35 g/mol
Exact Mass1067.54
IUPAC Namepalladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)
SMILES[O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[Pd+2]
InChIInChI=1S/2C16H9Br3N2O.Pd/c2*17-10-7-12(18)16(13(19)8-10)21-20-15-11-4-2-1-3-9(11)5-6-14(15)22;/h2*1-8,22H;/q;;+2/p-2/b2*21-20+;
InChIKeyMYFRJQLDEGDKMK-SQMNQOOUSA-L
XLogP13.23
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.35
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate)
CID 156595506
chromium(3+);3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170845785
3-carboxy-5-[(2-oxidonaphthalen-1-yl)diazenyl]benzoate
CID 135577537
sodium;chromium(3+);1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
CID 86290247
copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline
CID 139073230
disodium;cobalt(2+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfamoylphenolate;4-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonimidate
CID 170841737
copper;1-nitrosonaphthalen-2-ol;1-nitrosonaphthalen-2-olate
CID 74219017
6-bromochrysene
CID 3014563
sodium 1-[(4-chloro-5-methyl-2-sulfophenyl)diazenyl]naphthalen-2-olate
CID 102269573
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;hydrate
CID 170853738
chromium(3+);7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;trihydrate
CID 170854303
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)?
The IUPAC name of palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate) (CID 139088105) is palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate).
What is the SMILES notation for palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)?
The canonical SMILES for palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate) is [O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[O-]c1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1Br.[Pd+2].
What is the InChIKey of palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)?
The InChIKey is MYFRJQLDEGDKMK-SQMNQOOUSA-L. The full InChI is InChI=1S/2C16H9Br3N2O.Pd/c2*17-10-7-12(18)16(13(19)8-10)21-20-15-11-4-2-1-3-9(11)5-6-14(15)22;/h2*1-8,22H;/q;;+2/p-2/b2*21-20+;.
What are the key properties of palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate)?
palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate) has a molecular weight of 1074.35 g/mol, XLogP of 13.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate) is sourced from PubChem (CID 139088105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).