1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline

C36H24ClNO2 — CID 167537928

IUPAC1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
SMILESClc1ccc(-c2cccc3oc4ccccc4c23)cc1.Nc1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H11ClO.C18H13NO/c2*19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H;1-11H,19H2
InChIKeyAUHSNXUEJBLCLG-UHFFFAOYSA-N
MW538.05 g/mol
LogP10.74
Rot. Bonds2

About 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline

1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline (PubChem CID 167537928) has the molecular formula C36H24ClNO2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline.

Molecular Properties

Compound Name1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
PubChem CID167537928
Molecular FormulaC36H24ClNO2
Molecular Weight538.05 g/mol
Exact Mass537.15
IUPAC Name1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline
SMILESClc1ccc(-c2cccc3oc4ccccc4c23)cc1.Nc1ccc(-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H11ClO.C18H13NO/c2*19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H;1-11H,19H2
InChIKeyAUHSNXUEJBLCLG-UHFFFAOYSA-N
XLogP10.74
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.05
LogP ≤ 510.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)xanthen-9-one
CID 168812432
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-dibenzofuran-1-ylaniline
CID 138698486
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
CID 164835596
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline?
The IUPAC name of 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline (CID 167537928) is 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline.
What is the SMILES notation for 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline?
The canonical SMILES for 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline is Clc1ccc(-c2cccc3oc4ccccc4c23)cc1.Nc1ccc(-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline?
The InChIKey is AUHSNXUEJBLCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO.C18H13NO/c2*19-13-10-8-12(9-11-13)14-5-3-7-17-18(14)15-4-1-2-6-16(15)20-17/h1-11H;1-11H,19H2.
What are the key properties of 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline?
1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline has a molecular weight of 538.05 g/mol, XLogP of 10.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)dibenzofuran;4-dibenzofuran-1-ylaniline is sourced from PubChem (CID 167537928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).