5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

C72H52N8 — CID 144790736

IUPAC5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)[nH]n5)c4)n[nH]3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/2C36H26N4/c1-3-10-25(11-4-1)27-14-7-16-29(20-27)33-23-35(39-37-33)31-18-9-19-32(22-31)36-24-34(38-40-36)30-17-8-15-28(21-30)26-12-5-2-6-13-26;1-3-12-25(13-4-1)29-18-7-9-20-31(29)35-23-33(37-39-35)27-16-11-17-28(22-27)34-24-36(40-38-34)32-21-10-8-19-30(32)26-14-5-2-6-15-26/h2*1-24H,(H,37,39)(H,38,40)
InChIKeyOHBTYSUTUFLIPB-UHFFFAOYSA-N
MW1029.26 g/mol
LogP18.27
Rot. Bonds12

About 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole

5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 144790736) has the molecular formula C72H52N8 and a molecular weight of 1029.26 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID144790736
Molecular FormulaC72H52N8
Molecular Weight1029.26 g/mol
Exact Mass1028.43
IUPAC Name5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)[nH]n5)c4)n[nH]3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/2C36H26N4/c1-3-10-25(11-4-1)27-14-7-16-29(20-27)33-23-35(39-37-33)31-18-9-19-32(22-31)36-24-34(38-40-36)30-17-8-15-28(21-30)26-12-5-2-6-13-26;1-3-12-25(13-4-1)29-18-7-9-20-31(29)35-23-33(37-39-35)27-16-11-17-28(22-27)34-24-36(40-38-34)32-21-10-8-19-30(32)26-14-5-2-6-15-26/h2*1-24H,(H,37,39)(H,38,40)
InChIKeyOHBTYSUTUFLIPB-UHFFFAOYSA-N
XLogP18.27
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.26
LogP ≤ 518.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole with MolForge

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Related Compounds

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
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
1,2,4,5-Tetrakis(pyrazolyl-methyl)benzene
CID 138404280
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
acetato(3,5-diphenylpyrazole)[tris(3,5-diphenylpyrazolyl)borato]cobalt(II)
CID 139059601
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
Di-mu-methanolato-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)(nitrato-kappaO)copper(II)]
CID 139083477
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 144790736) is 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)[nH]n5)c4)n[nH]3)c2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is OHBTYSUTUFLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H26N4/c1-3-10-25(11-4-1)27-14-7-16-29(20-27)33-23-35(39-37-33)31-18-9-19-32(22-31)36-24-34(38-40-36)30-17-8-15-28(21-30)26-12-5-2-6-13-26;1-3-12-25(13-4-1)29-18-7-9-20-31(29)35-23-33(37-39-35)27-16-11-17-28(22-27)34-24-36(40-38-34)32-21-10-8-19-30(32)26-14-5-2-6-15-26/h2*1-24H,(H,37,39)(H,38,40).
What are the key properties of 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 1029.26 g/mol, XLogP of 18.27, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-3-[3-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(3-phenylphenyl)-3-[3-[5-(3-phenylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 144790736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).