2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

C42H28N8O2Pt2-2 — CID 176622832

About 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum

2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (PubChem CID 176622832) has the molecular formula C42H28N8O2Pt2-2 and a molecular weight of 1066.90 g/mol. Its IUPAC name is 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• PubChem CID: 176622832
• Molecular Formula: C42H28N8O2Pt2-2
• Molecular Weight: 1066.90 g/mol
• Exact Mass: 1066.16
• IUPAC Name: 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
• SMILES: Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5[c-]c(-c6cccc7c6nc(-c6ccccc6O)n7C)cnc5)ncn4)cnc3)cccc21.[Pt].[Pt]
• InChI: InChI=1S/C42H28N8O2.2Pt/c1-49-35-13-7-11-29(39(35)47-41(49)31-9-3-5-15-37(31)51)25-17-27(22-43-20-25)33-19-34(46-24-45-33)28-18-26(21-44-23-28)30-12-8-14-36-40(30)48-42(50(36)2)32-10-4-6-16-38(32)52;;/h3-16,19-24,51-52H,1-2H3;;/q-2
• InChIKey: HANFNCXCKIRZNV-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 127.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.90
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum (CID 176622832) is 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is Cn1c(-c2ccccc2O)nc2c(-c3[c-]c(-c4cc(-c5[c-]c(-c6cccc7c6nc(-c6ccccc6O)n7C)cnc5)ncn4)cnc3)cccc21.[Pt].[Pt].

What is the InChIKey of 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

The InChIKey is HANFNCXCKIRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N8O2.2Pt/c1-49-35-13-7-11-29(39(35)47-41(49)31-9-3-5-15-37(31)51)25-17-27(22-43-20-25)33-19-34(46-24-45-33)28-18-26(21-44-23-28)30-12-8-14-36-40(30)48-42(50(36)2)32-10-4-6-16-38(32)52;;/h3-16,19-24,51-52H,1-2H3;;/q-2;;.

What are the key properties of 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum?

2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 1066.90 g/mol, XLogP of 8.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[6-[5-[2-(2-hydroxyphenyl)-1-methylbenzimidazol-4-yl]-4H-pyridin-4-id-3-yl]pyrimidin-4-yl]-4H-pyridin-4-id-3-yl]-1-methylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 176622832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).