3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum

C32H26N4OPt — CID 158313389

IUPAC3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(-n4cc(-c5ccc(-c6ccccc6)cc5)cn4)c3)c2)n1.[Pt]
InChIInChI=1S/C32H26N4O.Pt/c1-23-18-24(2)36(34-23)30-11-7-13-32(20-30)37-31-12-6-10-29(19-31)35-22-28(21-33-35)27-16-14-26(15-17-27)25-8-4-3-5-9-25;/h3-22H,1-2H3;
InChIKeyGNYMAFQFWWLKFV-UHFFFAOYSA-N
MW677.67 g/mol
LogP7.80
Rot. Bonds6

About 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum

3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum (PubChem CID 158313389) has the molecular formula C32H26N4OPt and a molecular weight of 677.67 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum
PubChem CID158313389
Molecular FormulaC32H26N4OPt
Molecular Weight677.67 g/mol
Exact Mass677.18
IUPAC Name3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(-n4cc(-c5ccc(-c6ccccc6)cc5)cn4)c3)c2)n1.[Pt]
InChIInChI=1S/C32H26N4O.Pt/c1-23-18-24(2)36(34-23)30-11-7-13-32(20-30)37-31-12-6-10-29(19-31)35-22-28(21-33-35)27-16-14-26(15-17-27)25-8-4-3-5-9-25;/h3-22H,1-2H3;
InChIKeyGNYMAFQFWWLKFV-UHFFFAOYSA-N
XLogP7.80
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.67
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum?
The IUPAC name of 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum (CID 158313389) is 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum.
What is the SMILES notation for 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum?
The canonical SMILES for 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum is Cc1cc(C)n(-c2cccc(Oc3cccc(-n4cc(-c5ccc(-c6ccccc6)cc5)cn4)c3)c2)n1.[Pt].
What is the InChIKey of 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum?
The InChIKey is GNYMAFQFWWLKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O.Pt/c1-23-18-24(2)36(34-23)30-11-7-13-32(20-30)37-31-12-6-10-29(19-31)35-22-28(21-33-35)27-16-14-26(15-17-27)25-8-4-3-5-9-25;/h3-22H,1-2H3;.
What are the key properties of 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum?
3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum has a molecular weight of 677.67 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum is sourced from PubChem (CID 158313389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).