2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum

C32H21N2O2Pt- — CID 153304045

IUPAC2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(Oc3nccc4ccccc34)ccc2)n1.[Pt]
InChIInChI=1S/C32H21N2O2.Pt/c35-31-16-7-6-15-28(31)30-21-25(22-9-2-1-3-10-22)20-29(34-30)24-12-8-13-26(19-24)36-32-27-14-5-4-11-23(27)17-18-33-32;/h1-18,20-21,35H;/q-1;
InChIKeyXXAZIZDSOQOULL-UHFFFAOYSA-N
MW660.61 g/mol
LogP7.93
Rot. Bonds5

About 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 153304045) has the molecular formula C32H21N2O2Pt- and a molecular weight of 660.61 g/mol. Its IUPAC name is 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
PubChem CID153304045
Molecular FormulaC32H21N2O2Pt-
Molecular Weight660.61 g/mol
Exact Mass660.13
IUPAC Name2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(Oc3nccc4ccccc34)ccc2)n1.[Pt]
InChIInChI=1S/C32H21N2O2.Pt/c35-31-16-7-6-15-28(31)30-21-25(22-9-2-1-3-10-22)20-29(34-30)24-12-8-13-26(19-24)36-32-27-14-5-4-11-23(27)17-18-33-32;/h1-18,20-21,35H;/q-1;
InChIKeyXXAZIZDSOQOULL-UHFFFAOYSA-N
XLogP7.93
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.61
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304079
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153304230
2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
CID 162471850
2-[6-[3-[[4-(4-benzylphenyl)-2-pyridinyl]oxy]-5-tert-butylbenzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164743217
5-methyl-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614283
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol
CID 153303984
3-fluoro-2-[4-phenyl-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614228
1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
CID 164731600
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum (CID 153304045) is 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2[c-]c(Oc3nccc4ccccc34)ccc2)n1.[Pt].
What is the InChIKey of 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum?
The InChIKey is XXAZIZDSOQOULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N2O2.Pt/c35-31-16-7-6-15-28(31)30-21-25(22-9-2-1-3-10-22)20-29(34-30)24-12-8-13-26(19-24)36-32-27-14-5-4-11-23(27)17-18-33-32;/h1-18,20-21,35H;/q-1;.
What are the key properties of 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum?
2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 660.61 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 153304045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).