4-bromodibenzofuran;4-phenylaniline

C24H18BrNO — CID 122673561

IUPAC4-bromodibenzofuran;4-phenylaniline
SMILESBrc1cccc2c1oc1ccccc12.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H7BrO.C12H11N/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-7H;1-9H,13H2
InChIKeyJMOZMLVEQFMKSW-UHFFFAOYSA-N
MW416.32 g/mol
LogP7.28
Rot. Bonds1

About 4-bromodibenzofuran;4-phenylaniline

4-bromodibenzofuran;4-phenylaniline (PubChem CID 122673561) has the molecular formula C24H18BrNO and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-bromodibenzofuran;4-phenylaniline.

Molecular Properties

Compound Name4-bromodibenzofuran;4-phenylaniline
PubChem CID122673561
Molecular FormulaC24H18BrNO
Molecular Weight416.32 g/mol
Exact Mass415.06
IUPAC Name4-bromodibenzofuran;4-phenylaniline
SMILESBrc1cccc2c1oc1ccccc12.Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H7BrO.C12H11N/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-7H;1-9H,13H2
InChIKeyJMOZMLVEQFMKSW-UHFFFAOYSA-N
XLogP7.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-bromodibenzofuran-2-amine
CID 122462972
6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90125906
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-dibenzofuran-4-yl-3-phenyl-4-(4-phenylphenyl)aniline
CID 175746284
6-bromo-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433048

Frequently Asked Questions

What is the IUPAC name of 4-bromodibenzofuran;4-phenylaniline?
The IUPAC name of 4-bromodibenzofuran;4-phenylaniline (CID 122673561) is 4-bromodibenzofuran;4-phenylaniline.
What is the SMILES notation for 4-bromodibenzofuran;4-phenylaniline?
The canonical SMILES for 4-bromodibenzofuran;4-phenylaniline is Brc1cccc2c1oc1ccccc12.Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-bromodibenzofuran;4-phenylaniline?
The InChIKey is JMOZMLVEQFMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO.C12H11N/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-7H;1-9H,13H2.
What are the key properties of 4-bromodibenzofuran;4-phenylaniline?
4-bromodibenzofuran;4-phenylaniline has a molecular weight of 416.32 g/mol, XLogP of 7.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromodibenzofuran;4-phenylaniline is sourced from PubChem (CID 122673561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).