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

C92H80F6N26Pt4 — CID 160956420

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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C20H20N3.2C9H5F3N3.2C9H8N3.2C8H7N4.4Pt/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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*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;2*1-5H;2*2-6H,1H3;2*2-5H,1H3;;;;/q8*-1;4*+2
InChIKeySWLHGUIBEJFRKQ-UHFFFAOYSA-N
MW2444.13 g/mol
LogP17.51
Rot. Bonds8

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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 160956420) has the molecular formula C92H80F6N26Pt4 and a molecular weight of 2444.13 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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID160956420
Molecular FormulaC92H80F6N26Pt4
Molecular Weight2444.13 g/mol
Exact Mass2442.56
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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C20H20N3.2C9H5F3N3.2C9H8N3.2C8H7N4.4Pt/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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*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;2*1-5H;2*2-6H,1H3;2*2-5H,1H3;;;;/q8*-1;4*+2
InChIKeySWLHGUIBEJFRKQ-UHFFFAOYSA-N
XLogP17.51
TPSA344.82 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.13
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 160956420) 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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is SWLHGUIBEJFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N3.2C9H5F3N3.2C9H8N3.2C8H7N4.4Pt/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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*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;2*1-5H;2*2-6H,1H3;2*2-5H,1H3;;;;/q8*-1;4*+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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 2444.13 g/mol, XLogP of 17.51, 8 rotatable bonds, 0 hydrogen bond donors, and 18 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);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 160956420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).