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

C40H40N6Pt — CID 23599658

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

bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+) (PubChem CID 23599658) has the molecular formula C40H40N6Pt and a molecular weight of 799.88 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);platinum(2+).

Molecular Properties

• Compound Name: bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+)
• PubChem CID: 23599658
• Molecular Formula: C40H40N6Pt
• Molecular Weight: 799.88 g/mol
• Exact Mass: 799.30
• IUPAC Name: bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+)
• SMILES: CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.[Pt+2]
• InChI: InChI=1S/2C20H20N3.Pt/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;/h2*4-7,10-11,14H,8-9H2,1-3H3;/q2*-1;+2
• InChIKey: IDGSLMUCWHNAQK-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.88
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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);platinum(2+)?

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);platinum(2+) (CID 23599658) is bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+).

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);platinum(2+)?

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);platinum(2+) is CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.[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);platinum(2+)?

The InChIKey is IDGSLMUCWHNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N3.Pt/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;/h2*4-7,10-11,14H,8-9H2,1-3H3;/q2*-1;+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);platinum(2+)?

bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);platinum(2+) has a molecular weight of 799.88 g/mol, XLogP of 8.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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);platinum(2+) is sourced from PubChem (CID 23599658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).