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

C150H150F6N30Pt5 — CID 159166388

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

bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 159166388) has the molecular formula C150H150F6N30Pt5 and a molecular weight of 3462.44 g/mol. Its IUPAC name is bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

• Compound Name: bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• PubChem CID: 159166388
• Molecular Formula: C150H150F6N30Pt5
• Molecular Weight: 3462.44 g/mol
• Exact Mass: 3460.08
• IUPAC Name: bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• SMILES: C.C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/4C20H20N3.2C16H18N3.2C9H5F3N3.2C9H8N3.2CH4.5Pt/c2*1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;2*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*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;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;;;;;;;/h2*4-7,9,11,14H,8,10H2,1-3H3;2*4-7,10-11,14H,8-9H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;2*1-5H;2*2-6H,1H3;2*1H4;;;;;/q10*-1;;;5*+2
• InChIKey: KLCWFTNCVYYCDA-UHFFFAOYSA-N
• XLogP: 32.58
• TPSA: 398.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3462.44
LogP ≤ 5	32.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The IUPAC name of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 159166388) is bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

What is the SMILES notation for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The canonical SMILES for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is C.C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[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-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The InChIKey is KLCWFTNCVYYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H20N3.2C16H18N3.2C9H5F3N3.2C9H8N3.2CH4.5Pt/c2*1-19(2)14-8-10-20(19,3)18-15(14)17(22-23-18)16-13-7-5-4-6-12(13)9-11-21-16;2*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*1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;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;;;;;;;/h2*4-7,9,11,14H,8,10H2,1-3H3;2*4-7,10-11,14H,8-9H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;2*1-5H;2*2-6H,1H3;2*1H4;;;;;/q10*-1;;;5*+2.

What are the key properties of bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 3462.44 g/mol, XLogP of 32.58, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);methane;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);pentakis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);bis(1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 159166388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).