platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine

C29H23N3OPt — CID 176782053

IUPACplatinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine
SMILESCc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3)n2)c(C)c1.[Pt+2]
InChIInChI=1S/C29H23N3O.Pt/c1-20-16-21(2)29(22(3)17-20)28-13-15-32(31-28)24-9-7-11-26(19-24)33-25-10-6-8-23(18-25)27-12-4-5-14-30-27;/h4-17H,1-3H3;/q-2;+2
InChIKeyGWZKHRMYMKJMAY-UHFFFAOYSA-N
MW624.60 g/mol
LogP6.92
Rot. Bonds5

About platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine

platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine (PubChem CID 176782053) has the molecular formula C29H23N3OPt and a molecular weight of 624.60 g/mol. Its IUPAC name is platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine.

Molecular Properties

Compound Nameplatinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine
PubChem CID176782053
Molecular FormulaC29H23N3OPt
Molecular Weight624.60 g/mol
Exact Mass624.15
IUPAC Nameplatinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine
SMILESCc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3)n2)c(C)c1.[Pt+2]
InChIInChI=1S/C29H23N3O.Pt/c1-20-16-21(2)29(22(3)17-20)28-13-15-32(31-28)24-9-7-11-26(19-24)33-25-10-6-8-23(18-25)27-12-4-5-14-30-27;/h4-17H,1-3H3;/q-2;+2
InChIKeyGWZKHRMYMKJMAY-UHFFFAOYSA-N
XLogP6.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.60
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 164704087
4-methyl-2-[3-(4-methyl-3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451623
5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)
CID 176782923
3-(3,5-dimethylphenyl)-1-phenylpyrazole;iridium;2-phenylpyridine
CID 170539583
CID 176783822
CID 176783822
5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-6H-[1]benzofuro[3,2-c]carbazol-6-ide;platinum(2+)
CID 176782774
2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)
CID 166496346
4-tert-butyl-2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429120
2-[3-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-2-id-1-yl]pyridine;palladium(2+)
CID 162451616
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
3-[4-(3,5-dimethylphenyl)phenyl]-1-phenylpyrazole;iridium;2-phenylpyridine
CID 170539200
iridium(3+);3-methyl-1-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]pyrazole;2-phenylpyridine;cyanide
CID 58965509

Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine?
The IUPAC name of platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine (CID 176782053) is platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine.
What is the SMILES notation for platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine?
The canonical SMILES for platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine is Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c(-c5ccccn5)ccc4)ccc3)n2)c(C)c1.[Pt+2].
What is the InChIKey of platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine?
The InChIKey is GWZKHRMYMKJMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O.Pt/c1-20-16-21(2)29(22(3)17-20)28-13-15-32(31-28)24-9-7-11-26(19-24)33-25-10-6-8-23(18-25)27-12-4-5-14-30-27;/h4-17H,1-3H3;/q-2;+2.
What are the key properties of platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine?
platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine has a molecular weight of 624.60 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridine is sourced from PubChem (CID 176782053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).