2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline

C26H15ClN2O — CID 139327756

IUPAC2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
SMILESClc1nc(-c2ccccc2)c2cc(-c3cccc4c3oc3ccccc34)ccc2n1
InChIInChI=1S/C26H15ClN2O/c27-26-28-22-14-13-17(15-21(22)24(29-26)16-7-2-1-3-8-16)18-10-6-11-20-19-9-4-5-12-23(19)30-25(18)20/h1-15H
InChIKeyKZVMHPBBUVNKBM-UHFFFAOYSA-N
MW406.87 g/mol
LogP7.52
Rot. Bonds2

About 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline

2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline (PubChem CID 139327756) has the molecular formula C26H15ClN2O and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline.

Molecular Properties

Compound Name2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
PubChem CID139327756
Molecular FormulaC26H15ClN2O
Molecular Weight406.87 g/mol
Exact Mass406.09
IUPAC Name2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
SMILESClc1nc(-c2ccccc2)c2cc(-c3cccc4c3oc3ccccc34)ccc2n1
InChIInChI=1S/C26H15ClN2O/c27-26-28-22-14-13-17(15-21(22)24(29-26)16-7-2-1-3-8-16)18-10-6-11-20-19-9-4-5-12-23(19)30-25(18)20/h1-15H
InChIKeyKZVMHPBBUVNKBM-UHFFFAOYSA-N
XLogP7.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidine
CID 146489037
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline?
The IUPAC name of 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline (CID 139327756) is 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline.
What is the SMILES notation for 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline?
The canonical SMILES for 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline is Clc1nc(-c2ccccc2)c2cc(-c3cccc4c3oc3ccccc34)ccc2n1.
What is the InChIKey of 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline?
The InChIKey is KZVMHPBBUVNKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClN2O/c27-26-28-22-14-13-17(15-21(22)24(29-26)16-7-2-1-3-8-16)18-10-6-11-20-19-9-4-5-12-23(19)30-25(18)20/h1-15H.
What are the key properties of 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline?
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline has a molecular weight of 406.87 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline is sourced from PubChem (CID 139327756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).