3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum

C48H31N4OPt-3 — CID 176871584

About 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum

3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum (PubChem CID 176871584) has the molecular formula C48H31N4OPt-3 and a molecular weight of 874.88 g/mol. Its IUPAC name is 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum
• PubChem CID: 176871584
• Molecular Formula: C48H31N4OPt-3
• Molecular Weight: 874.88 g/mol
• Exact Mass: 874.22
• IUPAC Name: 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum
• SMILES: [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccoc21
• InChI: InChI=1S/C48H31N4O.Pt/c1-4-15-34(16-5-1)46(35-17-6-2-7-18-35)47(37-26-27-41-40-23-10-11-24-42(40)52(44(41)32-37)45-25-12-13-29-49-45)36-19-14-22-39(31-36)51-33-50(38-20-8-3-9-21-38)43-28-30-53-48(43)51;/h1-30,33H;/q-3
• InChIKey: IKWRRZXGOPBYAF-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 37.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.88
LogP ≤ 5	11.79
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': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum?

The IUPAC name of 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum (CID 176871584) is 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum.

What is the SMILES notation for 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum?

The canonical SMILES for 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum is [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccoc21.

What is the InChIKey of 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum?

The InChIKey is IKWRRZXGOPBYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N4O.Pt/c1-4-15-34(16-5-1)46(35-17-6-2-7-18-35)47(37-26-27-41-40-23-10-11-24-42(40)52(44(41)32-37)45-25-12-13-29-49-45)36-19-14-22-39(31-36)51-33-50(38-20-8-3-9-21-38)43-28-30-53-48(43)51;/h1-30,33H;/q-3;.

What are the key properties of 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum?

3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum has a molecular weight of 874.88 g/mol, XLogP of 11.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,2-diphenyl-1-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)ethenyl]benzene-2-id-1-yl]-1-phenyl-2H-furo[2,3-d]imidazol-2-ide;platinum is sourced from PubChem (CID 176871584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).