5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole

C42H30N8 — CID 137156890

IUPAC5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)c(-c4cc(-c5ccccc5)[nH]n4)cc3-c3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C42H30N8/c1-5-13-27(14-6-1)35-23-39(47-43-35)31-21-33(41-25-37(45-49-41)29-17-9-3-10-18-29)34(42-26-38(46-50-42)30-19-11-4-12-20-30)22-32(31)40-24-36(44-48-40)28-15-7-2-8-16-28/h1-26H,(H,43,47)(H,44,48)(H,45,49)(H,46,50)
InChIKeyCJXQHNKXEYWXFJ-UHFFFAOYSA-N
MW646.76 g/mol
LogP9.91
Rot. Bonds8

About 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole

5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (PubChem CID 137156890) has the molecular formula C42H30N8 and a molecular weight of 646.76 g/mol. Its IUPAC name is 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
PubChem CID137156890
Molecular FormulaC42H30N8
Molecular Weight646.76 g/mol
Exact Mass646.26
IUPAC Name5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)c(-c4cc(-c5ccccc5)[nH]n4)cc3-c3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1
InChIInChI=1S/C42H30N8/c1-5-13-27(14-6-1)35-23-39(47-43-35)31-21-33(41-25-37(45-49-41)29-17-9-3-10-18-29)34(42-26-38(46-50-42)30-19-11-4-12-20-30)22-32(31)40-24-36(44-48-40)28-15-7-2-8-16-28/h1-26H,(H,43,47)(H,44,48)(H,45,49)(H,46,50)
InChIKeyCJXQHNKXEYWXFJ-UHFFFAOYSA-N
XLogP9.91
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.76
LogP ≤ 59.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]-1H-pyrazole
CID 11089757
5,5'-bis(2,4-dimethylphenyl)-1H,2'H-3,3'-bipyrazole
CID 398009
5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole
CID 10959397
tris(3,5-diphenyl-1H-pyrazol-4-yl)borane
CID 54132821
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529580
1-(5-methyl-1H-pyrazol-3-yl)-N-[[2,4,6-triethyl-3,5-bis[[(5-methyl-1H-pyrazol-3-yl)methylideneamino]methyl]phenyl]methyl]methanimine
CID 137295687
1,2,4,5-Tetrakis(pyrazolyl-methyl)benzene
CID 138404280
CID 139065503
CID 139065503
CID 139065798
CID 139065798
Di-mu-methoxido-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)copper(II)] bis(perchlorate)
CID 139073226
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849
CID 139090023
CID 139090023

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (CID 137156890) is 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)[nH]n4)c(-c4cc(-c5ccccc5)[nH]n4)cc3-c3cc(-c4ccccc4)[nH]n3)n[nH]2)cc1.
What is the InChIKey of 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
The InChIKey is CJXQHNKXEYWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N8/c1-5-13-27(14-6-1)35-23-39(47-43-35)31-21-33(41-25-37(45-49-41)29-17-9-3-10-18-29)34(42-26-38(46-50-42)30-19-11-4-12-20-30)22-32(31)40-24-36(44-48-40)28-15-7-2-8-16-28/h1-26H,(H,43,47)(H,44,48)(H,45,49)(H,46,50).
What are the key properties of 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole?
5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole has a molecular weight of 646.76 g/mol, XLogP of 9.91, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[2,4,5-tris(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 137156890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).