2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)

C42H41N5OPt — CID 166496346

About 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)

2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+) (PubChem CID 166496346) has the molecular formula C42H41N5OPt and a molecular weight of 826.90 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+).

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)
• PubChem CID: 166496346
• Molecular Formula: C42H41N5OPt
• Molecular Weight: 826.90 g/mol
• Exact Mass: 826.30
• IUPAC Name: 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)
• SMILES: Cc1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc1-c1c(C)cc(-c2nc(C(C)(C)C)nc(C(C)(C)C)n2)cc1C.[Pt+2]
• InChI: InChI=1S/C42H41N5O.Pt/c1-26-20-31(38-45-39(41(4,5)6)47-40(46-38)42(7,8)9)21-27(2)37(26)34-24-36(44-25-28(34)3)30-15-13-17-33(23-30)48-32-16-12-14-29(22-32)35-18-10-11-19-43-35;/h10-21,24-25H,1-9H3;/q-2;+2
• InChIKey: JKRJCIQYERAJMP-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.90
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)?

The IUPAC name of 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+) (CID 166496346) is 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+).

What is the SMILES notation for 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)?

The canonical SMILES for 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+) is Cc1cnc(-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc1-c1c(C)cc(-c2nc(C(C)(C)C)nc(C(C)(C)C)n2)cc1C.[Pt+2].

What is the InChIKey of 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)?

The InChIKey is JKRJCIQYERAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N5O.Pt/c1-26-20-31(38-45-39(41(4,5)6)47-40(46-38)42(7,8)9)21-27(2)37(26)34-24-36(44-25-28(34)3)30-15-13-17-33(23-30)48-32-16-12-14-29(22-32)35-18-10-11-19-43-35;/h10-21,24-25H,1-9H3;/q-2;+2.

What are the key properties of 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+)?

2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+) has a molecular weight of 826.90 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3,5-dimethyl-4-[5-methyl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-pyridinyl]phenyl]-1,3,5-triazine;platinum(2+) is sourced from PubChem (CID 166496346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).