4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)

C30H19N3Pt — CID 140735868

About 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)

4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+) (PubChem CID 140735868) has the molecular formula C30H19N3Pt and a molecular weight of 616.58 g/mol. Its IUPAC name is 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+).

Molecular Properties

• Compound Name: 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)
• PubChem CID: 140735868
• Molecular Formula: C30H19N3Pt
• Molecular Weight: 616.58 g/mol
• Exact Mass: 616.12
• IUPAC Name: 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)
• SMILES: [Pt+2].[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2
• InChI: InChI=1S/C30H19N3.Pt/c1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;/h1-8,10,12-17H,18-19H2;/q-2;+2
• InChIKey: FQWCTMZDCWZMGD-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.58
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)?

The IUPAC name of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+) (CID 140735868) is 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+).

What is the SMILES notation for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)?

The canonical SMILES for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+) is [Pt+2].[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.

What is the InChIKey of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)?

The InChIKey is FQWCTMZDCWZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3.Pt/c1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;/h1-8,10,12-17H,18-19H2;/q-2;+2.

What are the key properties of 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+)?

4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+) has a molecular weight of 616.58 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;platinum(2+) is sourced from PubChem (CID 140735868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).