2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole

C38H22FN3O — CID 90129255

IUPAC2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
SMILESFc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C38H22FN3O/c39-26-17-13-23(14-18-26)37-30-9-1-4-10-32(30)40-38(41-37)42-33-11-5-2-7-27(33)28-19-15-25(22-34(28)42)24-16-20-36-31(21-24)29-8-3-6-12-35(29)43-36/h1-22H
InChIKeyCGWCCUGBGDIHEL-UHFFFAOYSA-N
MW555.61 g/mol
LogP10.10
Rot. Bonds3

About 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole (PubChem CID 90129255) has the molecular formula C38H22FN3O and a molecular weight of 555.61 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
PubChem CID90129255
Molecular FormulaC38H22FN3O
Molecular Weight555.61 g/mol
Exact Mass555.17
IUPAC Name2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
SMILESFc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C38H22FN3O/c39-26-17-13-23(14-18-26)37-30-9-1-4-10-32(30)40-38(41-37)42-33-11-5-2-7-27(33)28-19-15-25(22-34(28)42)24-16-20-36-31(21-24)29-8-3-6-12-35(29)43-36/h1-22H
InChIKeyCGWCCUGBGDIHEL-UHFFFAOYSA-N
XLogP10.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole 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 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole (CID 90129255) is 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole is Fc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole?
The InChIKey is CGWCCUGBGDIHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22FN3O/c39-26-17-13-23(14-18-26)37-30-9-1-4-10-32(30)40-38(41-37)42-33-11-5-2-7-27(33)28-19-15-25(22-34(28)42)24-16-20-36-31(21-24)29-8-3-6-12-35(29)43-36/h1-22H.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole has a molecular weight of 555.61 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).