3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole

C50H30FN3O — CID 118067268

IUPAC3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C50H30FN3O/c51-37-23-17-33(18-24-37)49-41-9-1-4-10-44(41)52-50(53-49)34-19-25-38(26-20-34)54-45-11-5-2-7-39(45)42-29-35(21-27-46(42)54)31-13-15-32(16-14-31)36-22-28-48-43(30-36)40-8-3-6-12-47(40)55-48/h1-30H
InChIKeyMBRGGQWTTGPYPC-UHFFFAOYSA-N
MW707.81 g/mol
LogP13.43
Rot. Bonds5

About 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole

3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole (PubChem CID 118067268) has the molecular formula C50H30FN3O and a molecular weight of 707.81 g/mol. Its IUPAC name is 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
PubChem CID118067268
Molecular FormulaC50H30FN3O
Molecular Weight707.81 g/mol
Exact Mass707.24
IUPAC Name3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C50H30FN3O/c51-37-23-17-33(18-24-37)49-41-9-1-4-10-44(41)52-50(53-49)34-19-25-38(26-20-34)54-45-11-5-2-7-39(45)42-29-35(21-27-46(42)54)31-13-15-32(16-14-31)36-22-28-48-43(30-36)40-8-3-6-12-47(40)55-48/h1-30H
InChIKeyMBRGGQWTTGPYPC-UHFFFAOYSA-N
XLogP13.43
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.81
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The IUPAC name of 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole (CID 118067268) is 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole is Fc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The InChIKey is MBRGGQWTTGPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30FN3O/c51-37-23-17-33(18-24-37)49-41-9-1-4-10-44(41)52-50(53-49)34-19-25-38(26-20-34)54-45-11-5-2-7-39(45)42-29-35(21-27-46(42)54)31-13-15-32(16-14-31)36-22-28-48-43(30-36)40-8-3-6-12-47(40)55-48/h1-30H.
What are the key properties of 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole has a molecular weight of 707.81 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-2-ylphenyl)-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole is sourced from PubChem (CID 118067268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).