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

C44H26FN3O — CID 90129267

IUPAC3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C44H26FN3O/c45-31-19-13-27(14-20-31)43-36-9-1-4-10-38(36)46-44(47-43)28-15-21-32(22-16-28)48-39-11-5-2-7-33(39)37-25-29(18-24-40(37)48)30-17-23-35-34-8-3-6-12-41(34)49-42(35)26-30/h1-26H
InChIKeyCGCFOOMEWWYYLR-UHFFFAOYSA-N
MW631.71 g/mol
LogP11.77
Rot. Bonds4

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

3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole (PubChem CID 90129267) has the molecular formula C44H26FN3O and a molecular weight of 631.71 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
PubChem CID90129267
Molecular FormulaC44H26FN3O
Molecular Weight631.71 g/mol
Exact Mass631.21
IUPAC Name3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C44H26FN3O/c45-31-19-13-27(14-20-31)43-36-9-1-4-10-38(36)46-44(47-43)28-15-21-32(22-16-28)48-39-11-5-2-7-33(39)37-25-29(18-24-40(37)48)30-17-23-35-34-8-3-6-12-41(34)49-42(35)26-30/h1-26H
InChIKeyCGCFOOMEWWYYLR-UHFFFAOYSA-N
XLogP11.77
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.71
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole (CID 90129267) is 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole is Fc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
The InChIKey is CGCFOOMEWWYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26FN3O/c45-31-19-13-27(14-20-31)43-36-9-1-4-10-38(36)46-44(47-43)28-15-21-32(22-16-28)48-39-11-5-2-7-33(39)37-25-29(18-24-40(37)48)30-17-23-35-34-8-3-6-12-41(34)49-42(35)26-30/h1-26H.
What are the key properties of 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole?
3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole has a molecular weight of 631.71 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole is sourced from PubChem (CID 90129267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).