4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran

C28H17ClO — CID 146440202

IUPAC4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
SMILESClc1cc(-c2cccc3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C28H17ClO/c29-21-16-19(23-11-5-8-18-7-1-2-9-22(18)23)15-20(17-21)24-12-6-13-26-25-10-3-4-14-27(25)30-28(24)26/h1-17H
InChIKeyKLFJEOFLBKJSAC-UHFFFAOYSA-N
MW404.90 g/mol
LogP8.73
Rot. Bonds2

About 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran

4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran (PubChem CID 146440202) has the molecular formula C28H17ClO and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
PubChem CID146440202
Molecular FormulaC28H17ClO
Molecular Weight404.90 g/mol
Exact Mass404.10
IUPAC Name4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
SMILESClc1cc(-c2cccc3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C28H17ClO/c29-21-16-19(23-11-5-8-18-7-1-2-9-22(18)23)15-20(17-21)24-12-6-13-26-25-10-3-4-14-27(25)30-28(24)26/h1-17H
InChIKeyKLFJEOFLBKJSAC-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-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 169004283
4-[3-(4-chlorophenyl)naphthalen-1-yl]dibenzofuran
CID 167454705
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182
4-anthracen-9-yldibenzofuran
CID 167187282
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran?
The IUPAC name of 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran (CID 146440202) is 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran.
What is the SMILES notation for 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran?
The canonical SMILES for 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran is Clc1cc(-c2cccc3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran?
The InChIKey is KLFJEOFLBKJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClO/c29-21-16-19(23-11-5-8-18-7-1-2-9-22(18)23)15-20(17-21)24-12-6-13-26-25-10-3-4-14-27(25)30-28(24)26/h1-17H.
What are the key properties of 4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran?
4-(3-chloro-5-naphthalen-1-ylphenyl)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-chloro-5-naphthalen-1-ylphenyl)dibenzofuran is sourced from PubChem (CID 146440202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).