platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine

C21H14N4Pt — CID 162042599

IUPACplatinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
SMILES[Pt+2].[c-]1c(Cc2[c-]c(-c3ccncn3)ccc2)cccc1-c1ccncn1
InChIInChI=1S/C21H14N4.Pt/c1-3-16(12-18(5-1)20-7-9-22-14-24-20)11-17-4-2-6-19(13-17)21-8-10-23-15-25-21;/h1-10,14-15H,11H2;/q-2;+2
InChIKeyCUUDTHWDFHHKQU-UHFFFAOYSA-N
MW517.45 g/mol
LogP3.79
Rot. Bonds4

About platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine

platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine (PubChem CID 162042599) has the molecular formula C21H14N4Pt and a molecular weight of 517.45 g/mol. Its IUPAC name is platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine.

Molecular Properties

Compound Nameplatinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
PubChem CID162042599
Molecular FormulaC21H14N4Pt
Molecular Weight517.45 g/mol
Exact Mass517.09
IUPAC Nameplatinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine
SMILES[Pt+2].[c-]1c(Cc2[c-]c(-c3ccncn3)ccc2)cccc1-c1ccncn1
InChIInChI=1S/C21H14N4.Pt/c1-3-16(12-18(5-1)20-7-9-22-14-24-20)11-17-4-2-6-19(13-17)21-8-10-23-15-25-21;/h1-10,14-15H,11H2;/q-2;+2
InChIKeyCUUDTHWDFHHKQU-UHFFFAOYSA-N
XLogP3.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.45
LogP ≤ 53.79
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

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2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548
4-(6-bromo-2-pyridinyl)pyrimidine
CID 102457660
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
iridium;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-yl]pyridine;2-pyridin-2-ylpyridine
CID 171470504
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
4-(3-naphthalen-1-ylphenyl)pyrimidine
CID 156551175
4-fluoro-5-pyrimidin-4-yl-1H-pyrazol-3-amine
CID 165492530

Frequently Asked Questions

What is the IUPAC name of platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The IUPAC name of platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine (CID 162042599) is platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine.
What is the SMILES notation for platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The canonical SMILES for platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine is [Pt+2].[c-]1c(Cc2[c-]c(-c3ccncn3)ccc2)cccc1-c1ccncn1.
What is the InChIKey of platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
The InChIKey is CUUDTHWDFHHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4.Pt/c1-3-16(12-18(5-1)20-7-9-22-14-24-20)11-17-4-2-6-19(13-17)21-8-10-23-15-25-21;/h1-10,14-15H,11H2;/q-2;+2.
What are the key properties of platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine?
platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine has a molecular weight of 517.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);4-[3-[(3-pyrimidin-4-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrimidine is sourced from PubChem (CID 162042599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).