zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine

C29H19N3O2Zn — CID 139167672

IUPACzinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine
SMILES[O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])nc3c2n1.[Zn+2].c1ccncc1
InChIInChI=1S/C24H16N2O2.C5H5N.Zn/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;1-2-4-6-5-3-1;/h1-14,27-28H;1-5H;/q;;+2/p-2
InChIKeyJZWOOSUMWJCQHD-UHFFFAOYSA-L
MW506.88 g/mol
LogP5.34
Rot. Bonds2

About zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine

zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine (PubChem CID 139167672) has the molecular formula C29H19N3O2Zn and a molecular weight of 506.88 g/mol. Its IUPAC name is zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine.

Molecular Properties

Compound Namezinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine
PubChem CID139167672
Molecular FormulaC29H19N3O2Zn
Molecular Weight506.88 g/mol
Exact Mass505.08
IUPAC Namezinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine
SMILES[O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])nc3c2n1.[Zn+2].c1ccncc1
InChIInChI=1S/C24H16N2O2.C5H5N.Zn/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;1-2-4-6-5-3-1;/h1-14,27-28H;1-5H;/q;;+2/p-2
InChIKeyJZWOOSUMWJCQHD-UHFFFAOYSA-L
XLogP5.34
TPSA84.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.88
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline, 4,7-diphenoxy-
CID 23423818
4-Tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-pyridin-2-ylphenol
CID 135961661
2-[[6-[(2-Hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
CID 136610168
Bis(2-benzoylphenolate);cobalt(2+);1,10-phenanthroline
CID 139040814
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
4,4'-Biphenol-1,10-phenanthroline (1/1)
CID 139054123
1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate
CID 139056316
2,2'-Biphenol-1,10-phenanthroline (1/1)
CID 139056594
Bis{mu~3~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{mu~2~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
CID 139062343
Benzene-1,2-diolate;palladium(2+);1,10-phenanthroline;dihydrate
CID 139066065
Copper bis(2-(quinolin-3-yliminomethyl)phenolate)
CID 139067163
2-Hydroxybenzyl alcohol-phenanthroline (1/1)
CID 139077716

Frequently Asked Questions

What is the IUPAC name of zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine?
The IUPAC name of zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine (CID 139167672) is zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine.
What is the SMILES notation for zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine?
The canonical SMILES for zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine is [O-]c1ccccc1-c1ccc2ccc3ccc(-c4ccccc4[O-])nc3c2n1.[Zn+2].c1ccncc1.
What is the InChIKey of zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine?
The InChIKey is JZWOOSUMWJCQHD-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H16N2O2.C5H5N.Zn/c27-21-7-3-1-5-17(21)19-13-11-15-9-10-16-12-14-20(26-24(16)23(15)25-19)18-6-2-4-8-22(18)28;1-2-4-6-5-3-1;/h1-14,27-28H;1-5H;/q;;+2/p-2.
What are the key properties of zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine?
zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine has a molecular weight of 506.88 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[9-(2-oxidophenyl)-1,10-phenanthrolin-2-yl]phenolate;pyridine is sourced from PubChem (CID 139167672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).