bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C110H99F3N32Pt5 — CID 157338624

IUPACbis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C20H20N3.C9H5F3N3.5C9H8N3.2C8H7N4.5Pt/c2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;;;/h2*4-7,10-11,14H,8-9H2,1-3H3;1-5H;5*2-6H,1H3;2*2-5H,1H3;;;;;/q10*-1;5*+2
InChIKeyBGDCVCWWSWRUDO-UHFFFAOYSA-N
MW2901.61 g/mol
LogP19.62
Rot. Bonds10

About bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 157338624) has the molecular formula C110H99F3N32Pt5 and a molecular weight of 2901.61 g/mol. Its IUPAC name is bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namebis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID157338624
Molecular FormulaC110H99F3N32Pt5
Molecular Weight2901.61 g/mol
Exact Mass2899.69
IUPAC Namebis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C20H20N3.C9H5F3N3.5C9H8N3.2C8H7N4.5Pt/c2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;;;/h2*4-7,10-11,14H,8-9H2,1-3H3;1-5H;5*2-6H,1H3;2*2-5H,1H3;;;;;/q10*-1;5*+2
InChIKeyBGDCVCWWSWRUDO-UHFFFAOYSA-N
XLogP19.62
TPSA424.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002901.61
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 157338624) is bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is BGDCVCWWSWRUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N3.C9H5F3N3.5C9H8N3.2C8H7N4.5Pt/c2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;;;/h2*4-7,10-11,14H,8-9H2,1-3H3;1-5H;5*2-6H,1H3;2*2-5H,1H3;;;;;/q10*-1;5*+2.
What are the key properties of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2901.61 g/mol, XLogP of 19.62, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 157338624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).