4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline

C42H28F2N4 — CID 22031307

IUPAC4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncnc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C42H28F2N4/c43-35-21-16-29(17-22-35)40-37-26-31(20-25-39(37)45-28-46-40)38-27-48(47-41(38)30-18-23-36(44)24-19-30)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H
InChIKeyIGMVFMTYVKLDOG-UHFFFAOYSA-N
MW626.71 g/mol
LogP9.95
Rot. Bonds7

About 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline

4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline (PubChem CID 22031307) has the molecular formula C42H28F2N4 and a molecular weight of 626.71 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline
PubChem CID22031307
Molecular FormulaC42H28F2N4
Molecular Weight626.71 g/mol
Exact Mass626.23
IUPAC Name4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncnc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C42H28F2N4/c43-35-21-16-29(17-22-35)40-37-26-31(20-25-39(37)45-28-46-40)38-27-48(47-41(38)30-18-23-36(44)24-19-30)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H
InChIKeyIGMVFMTYVKLDOG-UHFFFAOYSA-N
XLogP9.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline 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 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline?
The IUPAC name of 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline (CID 22031307) is 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline?
The canonical SMILES for 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncnc(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline?
The InChIKey is IGMVFMTYVKLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F2N4/c43-35-21-16-29(17-22-35)40-37-26-31(20-25-39(37)45-28-46-40)38-27-48(47-41(38)30-18-23-36(44)24-19-30)42(32-10-4-1-5-11-32,33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-28H.
What are the key properties of 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline?
4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline has a molecular weight of 626.71 g/mol, XLogP of 9.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]quinazoline is sourced from PubChem (CID 22031307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).