2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C54H44N3OPt- — CID 153476719

About 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153476719) has the molecular formula C54H44N3OPt- and a molecular weight of 947.05 g/mol. Its IUPAC name is 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153476719
• Molecular Formula: C54H44N3OPt-
• Molecular Weight: 947.05 g/mol
• Exact Mass: 946.32
• IUPAC Name: 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]C(C)(C)c1cc(-c2ccccc2)cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt]
• InChI: InChI=1S/C54H44N3O.Pt/c1-34(2)42-27-44(39-15-10-7-11-16-39)32-47(31-42)57-51-18-12-17-48(52(51)56-54(57)49-26-36(4)25-37(5)53(49)58)45-28-43(38-13-8-6-9-14-38)29-46(30-45)50-33-41(23-24-55-50)40-21-19-35(3)20-22-40;/h6-29,31-34,58H,1-5H3;/q-1;/i34D
• InChIKey: FKQPIZNAWLAJCD-ZOMAHUMBSA-N
• XLogP: 13.97
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.05
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153476719) is 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

What is the SMILES notation for 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The canonical SMILES for 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C(C)(C)c1cc(-c2ccccc2)cc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(C)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt].

What is the InChIKey of 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The InChIKey is FKQPIZNAWLAJCD-ZOMAHUMBSA-N. The full InChI is InChI=1S/C54H44N3O.Pt/c1-34(2)42-27-44(39-15-10-7-11-16-39)32-47(31-42)57-51-18-12-17-48(52(51)56-54(57)49-26-36(4)25-37(5)53(49)58)45-28-43(38-13-8-6-9-14-38)29-46(30-45)50-33-41(23-24-55-50)40-21-19-35(3)20-22-40;/h6-29,31-34,58H,1-5H3;/q-1;/i34D;.

What are the key properties of 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 947.05 g/mol, XLogP of 13.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153476719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).