2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum

C52H52N5OPt- — CID 177093894

About 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum

2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum (PubChem CID 177093894) has the molecular formula C52H52N5OPt- and a molecular weight of 958.10 g/mol. Its IUPAC name is 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum
• PubChem CID: 177093894
• Molecular Formula: C52H52N5OPt-
• Molecular Weight: 958.10 g/mol
• Exact Mass: 957.38
• IUPAC Name: 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum
• SMILES: [C-]#[N+]c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(/C(C)=C\Nc6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C52H52N5O.Pt/c1-33(32-55-40-16-13-12-14-17-40)34-22-23-54-45(27-34)36-24-35(25-37(26-36)50(2,3)4)43-18-15-19-46-48(43)56-49(44-31-41(53-11)20-21-47(44)58)57(46)42-29-38(51(5,6)7)28-39(30-42)52(8,9)10;/h12-23,25-32,55,58H,1-10H3;/q-1;/b33-32-
• InChIKey: QCHZIEFGZTWYFR-DYNGLPSQSA-N
• XLogP: 13.84
• TPSA: 67.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.10
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	2
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 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum?

The IUPAC name of 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum (CID 177093894) is 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum.

What is the SMILES notation for 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum?

The canonical SMILES for 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum is [C-]#[N+]c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(/C(C)=C\Nc6ccccc6)ccn5)cc(C(C)(C)C)c4)cccc3n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum?

The InChIKey is QCHZIEFGZTWYFR-DYNGLPSQSA-N. The full InChI is InChI=1S/C52H52N5O.Pt/c1-33(32-55-40-16-13-12-14-17-40)34-22-23-54-45(27-34)36-24-35(25-37(26-36)50(2,3)4)43-18-15-19-46-48(43)56-49(44-31-41(53-11)20-21-47(44)58)57(46)42-29-38(51(5,6)7)28-39(30-42)52(8,9)10;/h12-23,25-32,55,58H,1-10H3;/q-1;/b33-32-;.

What are the key properties of 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum?

2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum has a molecular weight of 958.10 g/mol, XLogP of 13.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[(Z)-1-anilinoprop-1-en-2-yl]-2-pyridinyl]-5-tert-butylbenzene-2-id-1-yl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]-4-isocyanophenol;platinum is sourced from PubChem (CID 177093894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).