2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum

C33H31N4O2Pt- — CID 153280247

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(C)c(-c2nc(-c3[c-]c(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C33H31N4O2.Pt/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28;/h7-17,19,38H,1-6H3;/q-1;
InChIKeyMKLDMRWTMPFBJP-UHFFFAOYSA-N
MW710.72 g/mol
LogP7.79
Rot. Bonds5

About 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum

2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280247) has the molecular formula C33H31N4O2Pt- and a molecular weight of 710.72 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID153280247
Molecular FormulaC33H31N4O2Pt-
Molecular Weight710.72 g/mol
Exact Mass710.21
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
SMILESCc1cc(C)c(-c2nc(-c3[c-]c(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C33H31N4O2.Pt/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28;/h7-17,19,38H,1-6H3;/q-1;
InChIKeyMKLDMRWTMPFBJP-UHFFFAOYSA-N
XLogP7.79
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.72
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280247) is 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is Cc1cc(C)c(-c2nc(-c3[c-]c(Oc4ccccn4)cc(C(C)(C)C)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt].
What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
The InChIKey is MKLDMRWTMPFBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N4O2.Pt/c1-20-15-21(2)29(22(3)16-20)32-36-30(35-31(37-32)26-11-7-8-12-27(26)38)23-17-24(33(4,5)6)19-25(18-23)39-28-13-9-10-14-34-28;/h7-17,19,38H,1-6H3;/q-1;.
What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum has a molecular weight of 710.72 g/mol, XLogP of 7.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum is sourced from PubChem (CID 153280247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).