7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole

C36H20FN3O — CID 71109047

IUPAC7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C36H20FN3O/c37-22-17-19-30-28(20-22)33-23-9-2-1-8-21(23)16-18-31(33)40(30)36-38-29-14-5-3-11-26(29)34(39-36)27-13-7-12-25-24-10-4-6-15-32(24)41-35(25)27/h1-20H
InChIKeyNYNUTQYQYLZAOC-UHFFFAOYSA-N
MW529.57 g/mol
LogP9.59
Rot. Bonds2

About 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole

7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole (PubChem CID 71109047) has the molecular formula C36H20FN3O and a molecular weight of 529.57 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
PubChem CID71109047
Molecular FormulaC36H20FN3O
Molecular Weight529.57 g/mol
Exact Mass529.16
IUPAC Name7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
SMILESFc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1
InChIInChI=1S/C36H20FN3O/c37-22-17-19-30-28(20-22)33-23-9-2-1-8-21(23)16-18-31(33)40(30)36-38-29-14-5-3-11-26(29)34(39-36)27-13-7-12-25-24-10-4-6-15-32(24)41-35(25)27/h1-20H
InChIKeyNYNUTQYQYLZAOC-UHFFFAOYSA-N
XLogP9.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.57
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole?
The IUPAC name of 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole (CID 71109047) is 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole.
What is the SMILES notation for 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole?
The canonical SMILES for 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole is Fc1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.
What is the InChIKey of 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole?
The InChIKey is NYNUTQYQYLZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20FN3O/c37-22-17-19-30-28(20-22)33-23-9-2-1-8-21(23)16-18-31(33)40(30)36-38-29-14-5-3-11-26(29)34(39-36)27-13-7-12-25-24-10-4-6-15-32(24)41-35(25)27/h1-20H.
What are the key properties of 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole?
7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole has a molecular weight of 529.57 g/mol, XLogP of 9.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole is sourced from PubChem (CID 71109047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).