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

C48H34N8 — CID 147081797

IUPAC3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cccc(-c9cc(-c%10ccccc%10)[nH]n9)c8)n[nH]7)cc6)cc5)[nH]n4)c3)[nH]n2)cc1
InChIInChI=1S/C48H34N8/c1-3-9-33(10-4-1)41-27-45(53-49-41)37-13-7-15-39(25-37)47-29-43(51-55-47)35-21-17-31(18-22-35)32-19-23-36(24-20-32)44-30-48(56-52-44)40-16-8-14-38(26-40)46-28-42(50-54-46)34-11-5-2-6-12-34/h1-30H,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyBHBJUEQCPCMPOF-UHFFFAOYSA-N
MW722.86 g/mol
LogP11.58
Rot. Bonds9

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

3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (PubChem CID 147081797) has the molecular formula C48H34N8 and a molecular weight of 722.86 g/mol. Its IUPAC name is 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
PubChem CID147081797
Molecular FormulaC48H34N8
Molecular Weight722.86 g/mol
Exact Mass722.29
IUPAC Name3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cccc(-c9cc(-c%10ccccc%10)[nH]n9)c8)n[nH]7)cc6)cc5)[nH]n4)c3)[nH]n2)cc1
InChIInChI=1S/C48H34N8/c1-3-9-33(10-4-1)41-27-45(53-49-41)37-13-7-15-39(25-37)47-29-43(51-55-47)35-21-17-31(18-22-35)32-19-23-36(24-20-32)44-30-48(56-52-44)40-16-8-14-38(26-40)46-28-42(50-54-46)34-11-5-2-6-12-34/h1-30H,(H,49,53)(H,50,54)(H,51,55)(H,52,56)
InChIKeyBHBJUEQCPCMPOF-UHFFFAOYSA-N
XLogP11.58
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.86
LogP ≤ 511.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole with MolForge

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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
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
5-[4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529580
3,3'-(Ethylenedi-p-phenylene)bis(5-methylpyrazole)
CID 129804114
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The IUPAC name of 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole (CID 147081797) is 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8cccc(-c9cc(-c%10ccccc%10)[nH]n9)c8)n[nH]7)cc6)cc5)[nH]n4)c3)[nH]n2)cc1.
What is the InChIKey of 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
The InChIKey is BHBJUEQCPCMPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N8/c1-3-9-33(10-4-1)41-27-45(53-49-41)37-13-7-15-39(25-37)47-29-43(51-55-47)35-21-17-31(18-22-35)32-19-23-36(24-20-32)44-30-48(56-52-44)40-16-8-14-38(26-40)46-28-42(50-54-46)34-11-5-2-6-12-34/h1-30H,(H,49,53)(H,50,54)(H,51,55)(H,52,56).
What are the key properties of 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole?
3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole has a molecular weight of 722.86 g/mol, XLogP of 11.58, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-[5-[4-[4-[3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]phenyl]phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazole is sourced from PubChem (CID 147081797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).