2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum

C32H20B2N3OPt-3 — CID 153494996

IUPAC2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum
SMILES[Pt].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-c1ccn[n-]1
InChIInChI=1S/C32H20B2N3O.Pt/c1-2-10-24(11-3-1)33-27-13-4-5-14-28(27)34(25-12-8-9-23(21-25)31-18-20-36-37-31)30-22-26(16-17-29(30)33)38-32-15-6-7-19-35-32;/h1-20H;/q-3;
InChIKeyFMHKHFLUFFSQGL-UHFFFAOYSA-N
MW679.23 g/mol
LogP1.84
Rot. Bonds5

About 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum

2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum (PubChem CID 153494996) has the molecular formula C32H20B2N3OPt-3 and a molecular weight of 679.23 g/mol. Its IUPAC name is 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum.

Molecular Properties

Compound Name2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum
PubChem CID153494996
Molecular FormulaC32H20B2N3OPt-3
Molecular Weight679.23 g/mol
Exact Mass679.15
IUPAC Name2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum
SMILES[Pt].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-c1ccn[n-]1
InChIInChI=1S/C32H20B2N3O.Pt/c1-2-10-24(11-3-1)33-27-13-4-5-14-28(27)34(25-12-8-9-23(21-25)31-18-20-36-37-31)30-22-26(16-17-29(30)33)38-32-15-6-7-19-35-32;/h1-20H;/q-3;
InChIKeyFMHKHFLUFFSQGL-UHFFFAOYSA-N
XLogP1.84
TPSA49.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
4-methyl-2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;platinum(2+)
CID 153421060
4-deuterio-2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;platinum(2+)
CID 153421464
platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine
CID 153433348
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433511
4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b][1]benzoborol-4-id-5-yl]pyridine;platinum(2+)
CID 153421680
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
platinum;6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine-2-carboxylic acid
CID 58709003
iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 146899920
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 153304201
5-(3-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
CID 153421242

Frequently Asked Questions

What is the IUPAC name of 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum?
The IUPAC name of 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum (CID 153494996) is 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum.
What is the SMILES notation for 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum?
The canonical SMILES for 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum is [Pt].[c-]1c(B2c3[c-]c(Oc4ccccn4)ccc3B(c3ccccc3)c3ccccc32)cccc1-c1ccn[n-]1.
What is the InChIKey of 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum?
The InChIKey is FMHKHFLUFFSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20B2N3O.Pt/c1-2-10-24(11-3-1)33-27-13-4-5-14-28(27)34(25-12-8-9-23(21-25)31-18-20-36-37-31)30-22-26(16-17-29(30)33)38-32-15-6-7-19-35-32;/h1-20H;/q-3;.
What are the key properties of 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum?
2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum has a molecular weight of 679.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-phenyl-10-(3-pyrazol-2-id-3-ylbenzene-2-id-1-yl)-1H-boranthren-1-id-2-yl]oxy]pyridine;platinum is sourced from PubChem (CID 153494996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).