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

C35H27N4O2Pt- — CID 153280241

IUPAC2-[4-(3-phenyl-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(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C35H27N4O2.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;
InChIKeyFOOPBFKGUWCUDT-UHFFFAOYSA-N
MW730.71 g/mol
LogP8.16
Rot. Bonds6

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

2-[4-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (PubChem CID 153280241) has the molecular formula C35H27N4O2Pt- and a molecular weight of 730.71 g/mol. Its IUPAC name is 2-[4-(3-phenyl-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-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum
PubChem CID153280241
Molecular FormulaC35H27N4O2Pt-
Molecular Weight730.71 g/mol
Exact Mass730.18
IUPAC Name2-[4-(3-phenyl-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(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt]
InChIInChI=1S/C35H27N4O2.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;
InChIKeyFOOPBFKGUWCUDT-UHFFFAOYSA-N
XLogP8.16
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.71
LogP ≤ 58.16
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-phenyl-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-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum (CID 153280241) is 2-[4-(3-phenyl-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-phenyl-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-phenyl-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(-c4ccccc4)c3)nc(-c3ccccc3O)n2)c(C)c1.[Pt].
What is the InChIKey of 2-[4-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
The InChIKey is FOOPBFKGUWCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N4O2.Pt/c1-22-17-23(2)32(24(3)18-22)35-38-33(37-34(39-35)29-13-7-8-14-30(29)40)27-19-26(25-11-5-4-6-12-25)20-28(21-27)41-31-15-9-10-16-36-31;/h4-20,40H,1-3H3;/q-1;.
What are the key properties of 2-[4-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenol;platinum?
2-[4-(3-phenyl-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 730.71 g/mol, XLogP of 8.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenyl-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 153280241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).