4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran

C28H17ClO — CID 167454705

IUPAC4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
SMILESClc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C28H17ClO/c29-21-14-12-18(13-15-21)20-16-19-6-1-2-7-22(19)26(17-20)25-10-5-9-24-23-8-3-4-11-27(23)30-28(24)25/h1-17H
InChIKeyPUOOXWLTUIUZFI-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran

4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran (PubChem CID 167454705) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
PubChem CID167454705
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
SMILESClc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C28H17ClO/c29-21-14-12-18(13-15-21)20-16-19-6-1-2-7-22(19)26(17-20)25-10-5-9-24-23-8-3-4-11-27(23)30-28(24)25/h1-17H
InChIKeyPUOOXWLTUIUZFI-UHFFFAOYSA-N
XLogP8.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran
CID 161354716
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
4-[2-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[2-(4-phenanthren-9-ylphenyl)phenyl]dibenzofuran;4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 158579416
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
9-[3-(4-chlorophenyl)-5-dibenzofuran-4-ylphenyl]carbazole
CID 170273136
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163708347

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran (CID 167454705) is 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran is Clc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)c3ccccc3c2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran?
The InChIKey is PUOOXWLTUIUZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-21-14-12-18(13-15-21)20-16-19-6-1-2-7-22(19)26(17-20)25-10-5-9-24-23-8-3-4-11-27(23)30-28(24)25/h1-17H.
What are the key properties of 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran?
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran has a molecular weight of 404.90 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 167454705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).