2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)

C33H25N3O2Pt — CID 168738849

IUPAC2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)
SMILESCOc1ccccn1.[Pt+2].[c-]1ccccc1Oc1[c-]c(-n2cc(-c3ccc(-c4ccccc4)cc3)cn2)ccc1
InChIInChI=1S/C27H18N2O.C6H7NO.Pt/c1-3-8-21(9-4-1)22-14-16-23(17-15-22)24-19-28-29(20-24)25-10-7-13-27(18-25)30-26-11-5-2-6-12-26;1-8-6-4-2-3-5-7-6;/h1-11,13-17,19-20H;2-5H,1H3;/q-2;;+2
InChIKeyFRNGUIKXNOOZCQ-UHFFFAOYSA-N
MW690.66 g/mol
LogP7.69
Rot. Bonds6

About 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)

2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+) (PubChem CID 168738849) has the molecular formula C33H25N3O2Pt and a molecular weight of 690.66 g/mol. Its IUPAC name is 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+).

Molecular Properties

Compound Name2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)
PubChem CID168738849
Molecular FormulaC33H25N3O2Pt
Molecular Weight690.66 g/mol
Exact Mass690.16
IUPAC Name2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)
SMILESCOc1ccccn1.[Pt+2].[c-]1ccccc1Oc1[c-]c(-n2cc(-c3ccc(-c4ccccc4)cc3)cn2)ccc1
InChIInChI=1S/C27H18N2O.C6H7NO.Pt/c1-3-8-21(9-4-1)22-14-16-23(17-15-22)24-19-28-29(20-24)25-10-7-13-27(18-25)30-26-11-5-2-6-12-26;1-8-6-4-2-3-5-7-6;/h1-11,13-17,19-20H;2-5H,1H3;/q-2;;+2
InChIKeyFRNGUIKXNOOZCQ-UHFFFAOYSA-N
XLogP7.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.66
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-1H-carbazol-1-ide;platinum(4+)
CID 86343604
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
2-[3-[4-(9,9-dibutylfluoren-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3,5-dimethyl-4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157053164
2-methoxypyridine
CID 71774587
2-methoxy-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine
CID 10286006
2-[1-[3-[[9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine;platinum(2+)
CID 153413630
9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153414875
iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
2-methoxypyridine;hydrobromide
CID 157413143
2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methoxy-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413041
9-(4-fluoro-2-pyridinyl)-2-[3-[4-(4-methoxy-2,6-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153414465
2-[3-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]oxy-4-(2,4-ditert-butylphenyl)pyridine;platinum(2+)
CID 164704612

Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)?
The IUPAC name of 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+) (CID 168738849) is 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+).
What is the SMILES notation for 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)?
The canonical SMILES for 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+) is COc1ccccn1.[Pt+2].[c-]1ccccc1Oc1[c-]c(-n2cc(-c3ccc(-c4ccccc4)cc3)cn2)ccc1.
What is the InChIKey of 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)?
The InChIKey is FRNGUIKXNOOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O.C6H7NO.Pt/c1-3-8-21(9-4-1)22-14-16-23(17-15-22)24-19-28-29(20-24)25-10-7-13-27(18-25)30-26-11-5-2-6-12-26;1-8-6-4-2-3-5-7-6;/h1-11,13-17,19-20H;2-5H,1H3;/q-2;;+2.
What are the key properties of 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+)?
2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+) has a molecular weight of 690.66 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine;1-[3-(phenoxy)benzene-2-id-1-yl]-4-(4-phenylphenyl)pyrazole;platinum(2+) is sourced from PubChem (CID 168738849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).