5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)

C41H41N5Pt — CID 140635955

About 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)

5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) (PubChem CID 140635955) has the molecular formula C41H41N5Pt and a molecular weight of 798.89 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+).

Molecular Properties

• Compound Name: 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
• PubChem CID: 140635955
• Molecular Formula: C41H41N5Pt
• Molecular Weight: 798.89 g/mol
• Exact Mass: 798.30
• IUPAC Name: 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
• SMILES: CC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[Pt+2]
• InChI: InChI=1S/C21H21N2.C20H20N3.Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;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;/h4-7,9,11-12,15H,8,10H2,1-3H3;4-7,9,11,14H,8,10H2,1-3H3;/q2*-1;+2
• InChIKey: QSKIYURCYSBARX-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 66.87 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.89
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)?

The IUPAC name of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) (CID 140635955) is 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+).

What is the SMILES notation for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)?

The canonical SMILES for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) is CC12CCC(c3c1c[n-]c3-c1nccc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[Pt+2].

What is the InChIKey of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)?

The InChIKey is QSKIYURCYSBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2.C20H20N3.Pt/c1-20(2)15-8-10-21(20,3)16-12-23-19(17(15)16)18-14-7-5-4-6-13(14)9-11-22-18;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;/h4-7,9,11-12,15H,8,10H2,1-3H3;4-7,9,11,14H,8,10H2,1-3H3;/q2*-1;+2.

What are the key properties of 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)?

5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) has a molecular weight of 798.89 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) is sourced from PubChem (CID 140635955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).