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

C49H32N5Pt-3 — CID 176871526

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

2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871526) has the molecular formula C49H32N5Pt-3 and a molecular weight of 885.91 g/mol. Its IUPAC name is 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 176871526
• Molecular Formula: C49H32N5Pt-3
• Molecular Weight: 885.91 g/mol
• Exact Mass: 885.23
• IUPAC Name: 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccnc1N1[CH-]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-42(40)54(45(41)32-37)46-26-14-15-30-50-46)38-29-31-51-47(33-38)53-34-52(39-20-8-3-9-21-39)43-24-12-13-25-44(43)53;/h1-31,34H;/q-3
• InChIKey: QLQBGKJLPHPNCW-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-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871526) is 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccnc1N1[CH-]N(c2ccccc2)c2ccccc21.

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

The InChIKey is QLQBGKJLPHPNCW-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(37-27-28-41-40-22-10-11-23-42(40)54(45(41)32-37)46-26-14-15-30-50-46)38-29-31-51-47(33-38)53-34-52(39-20-8-3-9-21-39)43-24-12-13-25-44(43)53;/h1-31,34H;/q-3;.

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

2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-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-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).