2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline

C44H28F2N2 — CID 10484028

IUPAC2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C44H28F2N2/c45-35-25-21-33(22-26-35)42-41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)43(41)48-44(47-42)34-23-27-36(46)28-24-34/h1-28H
InChIKeyXOLQQLUBVVHRPA-UHFFFAOYSA-N
MW622.72 g/mol
LogP11.91
Rot. Bonds6

About 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline

2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline (PubChem CID 10484028) has the molecular formula C44H28F2N2 and a molecular weight of 622.72 g/mol. Its IUPAC name is 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline.

Molecular Properties

Compound Name2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline
PubChem CID10484028
Molecular FormulaC44H28F2N2
Molecular Weight622.72 g/mol
Exact Mass622.22
IUPAC Name2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C44H28F2N2/c45-35-25-21-33(22-26-35)42-41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)43(41)48-44(47-42)34-23-27-36(46)28-24-34/h1-28H
InChIKeyXOLQQLUBVVHRPA-UHFFFAOYSA-N
XLogP11.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.72
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
Benzo[f]quinazoline-1,3-diamine
CID 456184
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
7-(4-Aminophenyl)-6-methylquinazoline-2,4-diamine
CID 56676459
6-Methyl-7-phenylquinazoline-2,4-diamine
CID 56679774
N-tert-butyl-6-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5330922
6-Methyl-7-(2-methylphenyl)quinazoline-2,4-diamine
CID 56662749
6-Methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine
CID 56673137
7-(2-Ethylphenyl)-6-methylquinazoline-2,4-diamine
CID 56683111
6-[(1-Naphthylamino)methyl]-2,4-diaminoquinazoline
CID 457341

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline?
The IUPAC name of 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline (CID 10484028) is 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline.
What is the SMILES notation for 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline?
The canonical SMILES for 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline is Fc1ccc(-c2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline?
The InChIKey is XOLQQLUBVVHRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F2N2/c45-35-25-21-33(22-26-35)42-41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)43(41)48-44(47-42)34-23-27-36(46)28-24-34/h1-28H.
What are the key properties of 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline?
2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline has a molecular weight of 622.72 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-fluorophenyl)-5,6,7,8-tetraphenylquinazoline is sourced from PubChem (CID 10484028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).