1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum

C40H33N4O2PtSi-3 — CID 168848579

About 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum

1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (PubChem CID 168848579) has the molecular formula C40H33N4O2PtSi-3 and a molecular weight of 824.89 g/mol. Its IUPAC name is 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• PubChem CID: 168848579
• Molecular Formula: C40H33N4O2PtSi-3
• Molecular Weight: 824.89 g/mol
• Exact Mass: 824.20
• IUPAC Name: 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c([Si]4(c5cc(C(C)(C)C)ccn5)c5ccccc5Oc5ccccc54)ccc3)ncc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C40H33N4O2Si.Pt/c1-40(2,3)28-20-22-42-39(24-28)47(36-18-9-7-16-34(36)46-35-17-8-10-19-37(35)47)31-13-11-12-30(26-31)45-38-25-29(21-23-41-38)44-27-43(4)32-14-5-6-15-33(32)44;/h5-24,27H,1-4H3;/q-3
• InChIKey: JNBNOACQXJJPDB-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.89
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum (CID 168848579) is 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c([Si]4(c5cc(C(C)(C)C)ccn5)c5ccccc5Oc5ccccc54)ccc3)ncc2)c2ccccc21.[Pt].

What is the InChIKey of 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

The InChIKey is JNBNOACQXJJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N4O2Si.Pt/c1-40(2,3)28-20-22-42-39(24-28)47(36-18-9-7-16-34(36)46-35-17-8-10-19-37(35)47)31-13-11-12-30(26-31)45-38-25-29(21-23-41-38)44-27-43(4)32-14-5-6-15-33(32)44;/h5-24,27H,1-4H3;/q-3;.

What are the key properties of 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum?

1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum has a molecular weight of 824.89 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[10-(4-tert-butyl-2-pyridinyl)benzo[b][1,4]benzoxasilin-10-yl]benzene-2-id-1-yl]oxy-3H-pyridin-3-id-4-yl]-3-methyl-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 168848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).