2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C27H18N4OPt — CID 164737867

About 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164737867) has the molecular formula C27H18N4OPt and a molecular weight of 609.55 g/mol. Its IUPAC name is 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 164737867
• Molecular Formula: C27H18N4OPt
• Molecular Weight: 609.55 g/mol
• Exact Mass: 609.11
• IUPAC Name: 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cn1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C27H18N4O.Pt/c1-30-16-15-29-27(30)19-7-6-8-20(17-19)32-21-12-13-23-22-9-2-3-10-24(22)31(25(23)18-21)26-11-4-5-14-28-26;/h2-16H,1H3;/q-2;+2
• InChIKey: NZCGDPMZHISNGW-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.55
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 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 164737867) is 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cn1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.[Pt+2].

What is the InChIKey of 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is NZCGDPMZHISNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O.Pt/c1-30-16-15-29-27(30)19-7-6-8-20(17-19)32-21-12-13-23-22-9-2-3-10-24(22)31(25(23)18-21)26-11-4-5-14-28-26;/h2-16H,1H3;/q-2;+2.

What are the key properties of 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 609.55 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164737867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).