diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)

C43H27N5PtSi — CID 153411538

About diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)

diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+) (PubChem CID 153411538) has the molecular formula C43H27N5PtSi and a molecular weight of 836.89 g/mol. Its IUPAC name is diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+).

Molecular Properties

• Compound Name: diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)
• PubChem CID: 153411538
• Molecular Formula: C43H27N5PtSi
• Molecular Weight: 836.89 g/mol
• Exact Mass: 836.17
• IUPAC Name: diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)
• SMILES: [Pt+2].[c-]1ccccc1-n1c2ccccc2c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ncnc43)(c3ccccc3)c3ccccc3)nc21
• InChI: InChI=1S/C43H27N5Si.Pt/c1-4-14-30(15-5-1)47-39-22-12-10-21-36(39)37-26-27-41(46-43(37)47)49(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-24-25-34-35-20-11-13-23-40(35)48-42(38(34)28-33)44-29-45-48;/h1-14,16-27,29H;/q-2;+2
• InChIKey: CLNZCSXYCNWULP-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.89
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)?

The IUPAC name of diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+) (CID 153411538) is diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+).

What is the SMILES notation for diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)?

The canonical SMILES for diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+) is [Pt+2].[c-]1ccccc1-n1c2ccccc2c2ccc([Si](c3[c-]c4c(cc3)c3ccccc3n3ncnc43)(c3ccccc3)c3ccccc3)nc21.

What is the InChIKey of diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)?

The InChIKey is CLNZCSXYCNWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5Si.Pt/c1-4-14-30(15-5-1)47-39-22-12-10-21-36(39)37-26-27-41(46-43(37)47)49(31-16-6-2-7-17-31,32-18-8-3-9-19-32)33-24-25-34-35-20-11-13-23-40(35)48-42(38(34)28-33)44-29-45-48;/h1-14,16-27,29H;/q-2;+2.

What are the key properties of diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+)?

diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+) has a molecular weight of 836.89 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(9-phenylpyrido[2,3-b]indol-2-yl)-(12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-id-11-yl)silane;platinum(2+) is sourced from PubChem (CID 153411538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).