2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C49H32N5Pt-3 — CID 176871673

About 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871673) has the molecular formula C49H32N5Pt-3 and a molecular weight of 885.91 g/mol. Its IUPAC name is 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 176871673
• Molecular Formula: C49H32N5Pt-3
• Molecular Weight: 885.91 g/mol
• Exact Mass: 885.23
• IUPAC Name: 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)ccnc1C(=C(c1ccccc1)c1ccccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
• InChI: InChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-43(40)54(46(41)32-37)47-26-14-15-30-51-47)42-33-39(29-31-50-42)53-34-52(38-20-8-3-9-21-38)44-24-12-13-25-45(44)53;/h1-31,34H;/q-3
• InChIKey: KNAVJJHCGDZQFU-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.91
LogP ≤ 5	11.59
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 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871673) is 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)ccnc1C(=C(c1ccccc1)c1ccccc1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.

What is the InChIKey of 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is KNAVJJHCGDZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-43(40)54(46(41)32-37)47-26-14-15-30-51-47)42-33-39(29-31-50-42)53-34-52(38-20-8-3-9-21-38)44-24-12-13-25-45(44)53;/h1-31,34H;/q-3;.

What are the key properties of 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 885.91 g/mol, XLogP of 11.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,2-diphenyl-1-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-2-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).