benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C23H15F3N2Pt — CID 23528036

IUPACbenzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2cccc(-c3ccccn3)n2)cc1.[Pt+2].[c-]1ccccc1
InChIInChI=1S/C17H10F3N2.C6H5.Pt/c18-17(19,20)13-9-7-12(8-10-13)14-5-3-6-16(22-14)15-4-1-2-11-21-15;1-2-4-6-5-3-1;/h1-7,9-11H;1-5H;/q2*-1;+2
InChIKeyNWMURHLKXVZRON-UHFFFAOYSA-N
MW571.46 g/mol
LogP6.11
Rot. Bonds2

About benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 23528036) has the molecular formula C23H15F3N2Pt and a molecular weight of 571.46 g/mol. Its IUPAC name is benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Namebenzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID23528036
Molecular FormulaC23H15F3N2Pt
Molecular Weight571.46 g/mol
Exact Mass571.08
IUPAC Namebenzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2cccc(-c3ccccn3)n2)cc1.[Pt+2].[c-]1ccccc1
InChIInChI=1S/C17H10F3N2.C6H5.Pt/c18-17(19,20)13-9-7-12(8-10-13)14-5-3-6-16(22-14)15-4-1-2-11-21-15;1-2-4-6-5-3-1;/h1-7,9-11H;1-5H;/q2*-1;+2
InChIKeyNWMURHLKXVZRON-UHFFFAOYSA-N
XLogP6.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.46
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Bipyridine
CID 1474
5,5'-Bis(trifluoromethyl)-2,2'-bipyridyl
CID 589903
6-Methyl-2,2'-bipyridine
CID 639521
(2,2'-Bipyridine)dichloroplatinum(II)
CID 6099922
2-Phenyl-5-[[5-(trifluoromethyl)pyridin-3-yl]methyl]pyridine
CID 73347616
Pyrazine, 2,3-dihydro-5,6-di-2-pyridinyl-
CID 90682
2,2'-Dipyridyl-d8
CID 11378683
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
4-(2,4-Difluorophenyl)-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 5233210
2,2'-Bipyridine, hydrochloride (1:2)
CID 21116345
Dichlorotetrakis(2-(2-pyridinyl)phenyl)diiridium(III)
CID 60043027
2,2'-Bipyridine; ((trifluoromethyl)sulfanyl)copper
CID 155885012

Frequently Asked Questions

What is the IUPAC name of benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 23528036) is benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1c[c-]c(-c2cccc(-c3ccccn3)n2)cc1.[Pt+2].[c-]1ccccc1.
What is the InChIKey of benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is NWMURHLKXVZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N2.C6H5.Pt/c18-17(19,20)13-9-7-12(8-10-13)14-5-3-6-16(22-14)15-4-1-2-11-21-15;1-2-4-6-5-3-1;/h1-7,9-11H;1-5H;/q2*-1;+2.
What are the key properties of benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 571.46 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;platinum(2+);2-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 23528036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).