2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C53H59N4OPt- — CID 171052014

About 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 171052014) has the molecular formula C53H59N4OPt- and a molecular weight of 963.16 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 171052014
• Molecular Formula: C53H59N4OPt-
• Molecular Weight: 963.16 g/mol
• Exact Mass: 962.43
• IUPAC Name: 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]c(-c3cc(C(C)(C)C)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n3)ccc2)nc2ccncc21.[Pt]
• InChI: InChI=1S/C53H59N4O.Pt/c1-32(2)40-25-37(34-18-15-14-16-19-34)26-41(33(3)4)48(40)57-47-31-54-23-22-44(47)56-50(57)36-21-17-20-35(24-36)45-29-39(52(8,9)10)30-46(55-45)42-27-38(51(5,6)7)28-43(49(42)58)53(11,12)13;/h14-23,25-33,58H,1-13H3;/q-1
• InChIKey: DUFWQXIROVKVPG-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.16
LogP ≤ 5	14.13
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 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 171052014) is 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]c(-c3cc(C(C)(C)C)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n3)ccc2)nc2ccncc21.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is DUFWQXIROVKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H59N4O.Pt/c1-32(2)40-25-37(34-18-15-14-16-19-34)26-41(33(3)4)48(40)57-47-31-54-23-22-44(47)56-50(57)36-21-17-20-35(24-36)45-29-39(52(8,9)10)30-46(55-45)42-27-38(51(5,6)7)28-43(49(42)58)53(11,12)13;/h14-23,25-33,58H,1-13H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 963.16 g/mol, XLogP of 14.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 171052014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).