2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum

C32H23N3O2Pt — CID 158881190

IUPAC2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
SMILES[Pt].c1ccc(-c2ccc(-c3cnn(-c4cccc(Oc5cccc(Oc6ccccn6)c5)c4)c3)cc2)cc1
InChIInChI=1S/C32H23N3O2.Pt/c1-2-8-24(9-3-1)25-15-17-26(18-16-25)27-22-34-35(23-27)28-10-6-11-29(20-28)36-30-12-7-13-31(21-30)37-32-14-4-5-19-33-32;/h1-23H;
InChIKeyJDAVITXVURPLBF-UHFFFAOYSA-N
MW676.63 g/mol
LogP8.18
Rot. Bonds7

About 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum

2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum (PubChem CID 158881190) has the molecular formula C32H23N3O2Pt and a molecular weight of 676.63 g/mol. Its IUPAC name is 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum.

Molecular Properties

Compound Name2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
PubChem CID158881190
Molecular FormulaC32H23N3O2Pt
Molecular Weight676.63 g/mol
Exact Mass676.14
IUPAC Name2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
SMILES[Pt].c1ccc(-c2ccc(-c3cnn(-c4cccc(Oc5cccc(Oc6ccccn6)c5)c4)c3)cc2)cc1
InChIInChI=1S/C32H23N3O2.Pt/c1-2-8-24(9-3-1)25-15-17-26(18-16-25)27-22-34-35(23-27)28-10-6-11-29(20-28)36-30-12-7-13-31(21-30)37-32-14-4-5-19-33-32;/h1-23H;
InChIKeyJDAVITXVURPLBF-UHFFFAOYSA-N
XLogP8.18
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.63
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum?
The IUPAC name of 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum (CID 158881190) is 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum.
What is the SMILES notation for 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum?
The canonical SMILES for 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum is [Pt].c1ccc(-c2ccc(-c3cnn(-c4cccc(Oc5cccc(Oc6ccccn6)c5)c4)c3)cc2)cc1.
What is the InChIKey of 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum?
The InChIKey is JDAVITXVURPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O2.Pt/c1-2-8-24(9-3-1)25-15-17-26(18-16-25)27-22-34-35(23-27)28-10-6-11-29(20-28)36-30-12-7-13-31(21-30)37-32-14-4-5-19-33-32;/h1-23H;.
What are the key properties of 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum?
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum has a molecular weight of 676.63 g/mol, XLogP of 8.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum is sourced from PubChem (CID 158881190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).