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

C39H38N6Pt — CID 140752743

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

5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) (PubChem CID 140752743) has the molecular formula C39H38N6Pt and a molecular weight of 785.85 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+).

Molecular Properties

• Compound Name: 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
• PubChem CID: 140752743
• Molecular Formula: C39H38N6Pt
• Molecular Weight: 785.85 g/mol
• Exact Mass: 785.28
• IUPAC Name: 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)
• SMILES: CC1(C)C2CCC1c1c2n[n-]c1-c1nccc2ccccc12.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[Pt+2]
• InChI: InChI=1S/C20H20N3.C19H18N3.Pt/c1-19(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;1-19(2)13-7-8-14(19)17-15(13)18(22-21-17)16-12-6-4-3-5-11(12)9-10-20-16;/h4-7,9,11,14H,8,10H2,1-3H3;3-6,9-10,13-14H,7-8H2,1-2H3;/q2*-1;+2
• InChIKey: FESLWWWJHRKUBK-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 79.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.85
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) (CID 140752743) is 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-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 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+)?

The canonical SMILES for 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;platinum(2+) is CC1(C)C2CCC1c1c2n[n-]c1-c1nccc2ccccc12.CC12CCC(c3c1n[n-]c3-c1nccc3ccccc13)C2(C)C.[Pt+2].

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

The InChIKey is FESLWWWJHRKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N3.C19H18N3.Pt/c1-19(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;1-19(2)13-7-8-14(19)17-15(13)18(22-21-17)16-12-6-4-3-5-11(12)9-10-20-16;/h4-7,9,11,14H,8,10H2,1-3H3;3-6,9-10,13-14H,7-8H2,1-2H3;/q2*-1;+2.

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

5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-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 785.85 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-isoquinolin-1-yl-10,10-dimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;5-isoquinolin-1-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 140752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).