5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum

C33H26N5OPt-3 — CID 153492591

About 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum

5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum (PubChem CID 153492591) has the molecular formula C33H26N5OPt-3 and a molecular weight of 703.68 g/mol. Its IUPAC name is 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum.

Molecular Properties

• Compound Name: 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum
• PubChem CID: 153492591
• Molecular Formula: C33H26N5OPt-3
• Molecular Weight: 703.68 g/mol
• Exact Mass: 703.18
• IUPAC Name: 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)ccc2)c(C)c1C1c2ccccc2-c2ncccc21.[Pt]
• InChI: InChI=1S/C33H26N5O.Pt/c1-22-31(32-28-13-4-5-14-29(28)33-30(32)15-8-16-34-33)23(2)38(35-22)25-10-7-12-27(20-25)39-26-11-6-9-24(19-26)37-18-17-36(3)21-37;/h4-18,21,32H,1-3H3;/q-3
• InChIKey: CGAXHGHVWLPKEZ-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.68
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum?

The IUPAC name of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum (CID 153492591) is 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum.

What is the SMILES notation for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum?

The canonical SMILES for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum is Cc1nn(-c2[c-]c(Oc3[c-]c(N4C=CN(C)[CH-]4)ccc3)ccc2)c(C)c1C1c2ccccc2-c2ncccc21.[Pt].

What is the InChIKey of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum?

The InChIKey is CGAXHGHVWLPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N5O.Pt/c1-22-31(32-28-13-4-5-14-29(28)33-30(32)15-8-16-34-33)23(2)38(35-22)25-10-7-12-27(20-25)39-26-11-6-9-24(19-26)37-18-17-36(3)21-37;/h4-18,21,32H,1-3H3;/q-3;.

What are the key properties of 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum?

5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum has a molecular weight of 703.68 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-dimethyl-1-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrazol-4-yl]-5H-indeno[1,2-b]pyridine;platinum is sourced from PubChem (CID 153492591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).