3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

C44H24FN3O2 — CID 67701944

IUPAC3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESFc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C44H24FN3O2/c45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h1-24H
InChIKeyYHFDHNRODYFZMA-UHFFFAOYSA-N
MW645.69 g/mol
LogP12.00
Rot. Bonds3

About 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 67701944) has the molecular formula C44H24FN3O2 and a molecular weight of 645.69 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID67701944
Molecular FormulaC44H24FN3O2
Molecular Weight645.69 g/mol
Exact Mass645.19
IUPAC Name3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESFc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C44H24FN3O2/c45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h1-24H
InChIKeyYHFDHNRODYFZMA-UHFFFAOYSA-N
XLogP12.00
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.69
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 67701944) is 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is Fc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is YHFDHNRODYFZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24FN3O2/c45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h1-24H.
What are the key properties of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 645.69 g/mol, XLogP of 12.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 67701944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).