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

C42H30N8 — CID 136960772

IUPAC5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)n[nH]4)c(-c4cc(-c5ccccc5)n[nH]4)cc3-c3cc(-c4ccccc4)[nH]n3)[nH]n2)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-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole

5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole (PubChem CID 136960772) has the molecular formula C42H30N8 and a molecular weight of 646.76 g/mol. Its IUPAC name is 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole
PubChem CID136960772
Molecular FormulaC42H30N8
Molecular Weight646.76 g/mol
Exact Mass646.26
IUPAC Name5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)n[nH]4)c(-c4cc(-c5ccccc5)n[nH]4)cc3-c3cc(-c4ccccc4)[nH]n3)[nH]n2)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

Analyze 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole (CID 136960772) is 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)n[nH]4)c(-c4cc(-c5ccccc5)n[nH]4)cc3-c3cc(-c4ccccc4)[nH]n3)[nH]n2)cc1.
What is the InChIKey of 5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-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-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole?
5-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-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-[4,5-bis(3-phenyl-1H-pyrazol-5-yl)-2-(5-phenyl-1H-pyrazol-3-yl)phenyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 136960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).