5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum

C39H29GeN4OPt-3 — CID 153494980

About 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum

5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum (PubChem CID 153494980) has the molecular formula C39H29GeN4OPt-3 and a molecular weight of 837.38 g/mol. Its IUPAC name is 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum.

Molecular Properties

• Compound Name: 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum
• PubChem CID: 153494980
• Molecular Formula: C39H29GeN4OPt-3
• Molecular Weight: 837.38 g/mol
• Exact Mass: 838.12
• IUPAC Name: 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum
• SMILES: CN1C=CN(c2[c-]c(N3c4[c-]c(Oc5ccccn5)ccc4[Ge](c4ccccc4)(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt]
• InChI: InChI=1S/C39H29GeN4O.Pt/c1-42-25-26-43(29-42)32-17-12-18-33(27-32)44-37-20-9-8-19-35(37)40(30-13-4-2-5-14-30,31-15-6-3-7-16-31)36-23-22-34(28-38(36)44)45-39-21-10-11-24-41-39;/h2-26,29H,1H3;/q-3
• InChIKey: LEIARVBFMHMALN-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.38
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum?

The IUPAC name of 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum (CID 153494980) is 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum.

What is the SMILES notation for 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum?

The canonical SMILES for 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum is CN1C=CN(c2[c-]c(N3c4[c-]c(Oc5ccccn5)ccc4[Ge](c4ccccc4)(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt].

What is the InChIKey of 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum?

The InChIKey is LEIARVBFMHMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29GeN4O.Pt/c1-42-25-26-43(29-42)32-17-12-18-33(27-32)44-37-20-9-8-19-35(37)40(30-13-4-2-5-14-30,31-15-6-3-7-16-31)36-23-22-34(28-38(36)44)45-39-21-10-11-24-41-39;/h2-26,29H,1H3;/q-3;.

What are the key properties of 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum?

5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum has a molecular weight of 837.38 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum is sourced from PubChem (CID 153494980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).