4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum

C44H47N4OPt- — CID 177094230

About 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum

4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum (PubChem CID 177094230) has the molecular formula C44H47N4OPt- and a molecular weight of 842.96 g/mol. Its IUPAC name is 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum.

Molecular Properties

• Compound Name: 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum
• PubChem CID: 177094230
• Molecular Formula: C44H47N4OPt-
• Molecular Weight: 842.96 g/mol
• Exact Mass: 842.34
• IUPAC Name: 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum
• SMILES: C=C(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccncc3O)n4-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C44H47N4O.Pt/c1-27(2)28-15-18-46-37(22-28)30-19-29(20-31(21-30)42(3,4)5)35-13-12-14-38-40(35)47-41(36-16-17-45-26-39(36)49)48(38)34-24-32(43(6,7)8)23-33(25-34)44(9,10)11;/h12-18,20-26,49H,1H2,2-11H3;/q-1
• InChIKey: MKJNZCZFNGZLQJ-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.96
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum?

The IUPAC name of 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum (CID 177094230) is 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum.

What is the SMILES notation for 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum?

The canonical SMILES for 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum is C=C(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccncc3O)n4-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum?

The InChIKey is MKJNZCZFNGZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N4O.Pt/c1-27(2)28-15-18-46-37(22-28)30-19-29(20-31(21-30)42(3,4)5)35-13-12-14-38-40(35)47-41(36-16-17-45-26-39(36)49)48(38)34-24-32(43(6,7)8)23-33(25-34)44(9,10)11;/h12-18,20-26,49H,1H2,2-11H3;/q-1;.

What are the key properties of 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum?

4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum has a molecular weight of 842.96 g/mol, XLogP of 11.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-tert-butyl-5-(4-prop-1-en-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol;platinum is sourced from PubChem (CID 177094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).