2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C51H46N3OPt- — CID 140831997

About 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 140831997) has the molecular formula C51H46N3OPt- and a molecular weight of 912.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 140831997
• Molecular Formula: C51H46N3OPt-
• Molecular Weight: 912.03 g/mol
• Exact Mass: 911.33
• IUPAC Name: 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt]
• InChI: InChI=1S/C51H46N3O.Pt/c1-50(2,3)41-31-43(48(55)44(32-41)51(4,5)6)49-53-47-42(19-14-20-46(47)54(49)7)39-27-38(34-17-12-9-13-18-34)28-40(29-39)45-30-37(25-26-52-45)36-23-21-35(22-24-36)33-15-10-8-11-16-33;/h8-28,30-32,55H,1-7H3;/q-1
• InChIKey: ILEMTBOIOXDYKG-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.03
LogP ≤ 5	13.07
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 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 140831997) is 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is Cn1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is ILEMTBOIOXDYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N3O.Pt/c1-50(2,3)41-31-43(48(55)44(32-41)51(4,5)6)49-53-47-42(19-14-20-46(47)54(49)7)39-27-38(34-17-12-9-13-18-34)28-40(29-39)45-30-37(25-26-52-45)36-23-21-35(22-24-36)33-15-10-8-11-16-33;/h8-28,30-32,55H,1-7H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 912.03 g/mol, XLogP of 13.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 140831997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).