2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum

C32H23N4O2Pt- — CID 152915766

IUPAC2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum
SMILESCc1cc(C)c(O)c(-c2nc(-c3[c-]c(Oc4nccc5ccccc45)ccc3)nc(-c3ccccc3)n2)c1.[Pt]
InChIInChI=1S/C32H23N4O2.Pt/c1-20-17-21(2)28(37)27(18-20)31-35-29(23-10-4-3-5-11-23)34-30(36-31)24-12-8-13-25(19-24)38-32-26-14-7-6-9-22(26)15-16-33-32;/h3-18,37H,1-2H3;/q-1;
InChIKeyNAXOTIRHJUXXHH-UHFFFAOYSA-N
MW690.64 g/mol
LogP7.33
Rot. Bonds5

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

2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 152915766) has the molecular formula C32H23N4O2Pt- and a molecular weight of 690.64 g/mol. Its IUPAC name is 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

Compound Name2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum
PubChem CID152915766
Molecular FormulaC32H23N4O2Pt-
Molecular Weight690.64 g/mol
Exact Mass690.15
IUPAC Name2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum
SMILESCc1cc(C)c(O)c(-c2nc(-c3[c-]c(Oc4nccc5ccccc45)ccc3)nc(-c3ccccc3)n2)c1.[Pt]
InChIInChI=1S/C32H23N4O2.Pt/c1-20-17-21(2)28(37)27(18-20)31-35-29(23-10-4-3-5-11-23)34-30(36-31)24-12-8-13-25(19-24)38-32-26-14-7-6-9-22(26)15-16-33-32;/h3-18,37H,1-2H3;/q-1;
InChIKeyNAXOTIRHJUXXHH-UHFFFAOYSA-N
XLogP7.33
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.64
LogP ≤ 57.33
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-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum?
The IUPAC name of 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum (CID 152915766) is 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum.
What is the SMILES notation for 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum?
The canonical SMILES for 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum is Cc1cc(C)c(O)c(-c2nc(-c3[c-]c(Oc4nccc5ccccc45)ccc3)nc(-c3ccccc3)n2)c1.[Pt].
What is the InChIKey of 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum?
The InChIKey is NAXOTIRHJUXXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N4O2.Pt/c1-20-17-21(2)28(37)27(18-20)31-35-29(23-10-4-3-5-11-23)34-30(36-31)24-12-8-13-25(19-24)38-32-26-14-7-6-9-22(26)15-16-33-32;/h3-18,37H,1-2H3;/q-1;.
What are the key properties of 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum?
2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 690.64 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 152915766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).