platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

C26H14F6N6Pt — CID 153474933

IUPACplatinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
SMILESFC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2]
InChIInChI=1S/2C13H7F3N3.Pt/c2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;/h2*1-7H;/q2*-1;+2
InChIKeyWRNRKQQPVXRPPY-UHFFFAOYSA-N
MW719.51 g/mol
LogP6.54
Rot. Bonds2

About platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (PubChem CID 153474933) has the molecular formula C26H14F6N6Pt and a molecular weight of 719.51 g/mol. Its IUPAC name is platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).

Molecular Properties

Compound Nameplatinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
PubChem CID153474933
Molecular FormulaC26H14F6N6Pt
Molecular Weight719.51 g/mol
Exact Mass719.08
IUPAC Nameplatinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
SMILESFC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2]
InChIInChI=1S/2C13H7F3N3.Pt/c2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;/h2*1-7H;/q2*-1;+2
InChIKeyWRNRKQQPVXRPPY-UHFFFAOYSA-N
XLogP6.54
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.51
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(5-fluoropyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 44345925
Bis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);platinum(2+)
CID 139127932
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(4-[2,6-di(propan-2-yl)phenyl]-2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine);ethyl acetate;platinum(2+)
CID 168338734
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
6,7-difluoro-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
CID 9968942
4-[5-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
CID 10223896
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The IUPAC name of platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (CID 153474933) is platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).
What is the SMILES notation for platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The canonical SMILES for platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2].
What is the InChIKey of platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The InChIKey is WRNRKQQPVXRPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H7F3N3.Pt/c2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;/h2*1-7H;/q2*-1;+2.
What are the key properties of platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) has a molecular weight of 719.51 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is sourced from PubChem (CID 153474933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).