4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde

C23H13ClO2 — CID 146209946

IUPAC4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1cc(Cl)c2ccccc2c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H13ClO2/c24-20-12-14(13-25)22(17-8-2-1-6-15(17)20)19-10-5-9-18-16-7-3-4-11-21(16)26-23(18)19/h1-13H
InChIKeyJUVXBZUSCJLCDR-UHFFFAOYSA-N
MW356.81 g/mol
LogP6.87
Rot. Bonds2

About 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde

4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde (PubChem CID 146209946) has the molecular formula C23H13ClO2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
PubChem CID146209946
Molecular FormulaC23H13ClO2
Molecular Weight356.81 g/mol
Exact Mass356.06
IUPAC Name4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1cc(Cl)c2ccccc2c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C23H13ClO2/c24-20-12-14(13-25)22(17-8-2-1-6-15(17)20)19-10-5-9-18-16-7-3-4-11-21(16)26-23(18)19/h1-13H
InChIKeyJUVXBZUSCJLCDR-UHFFFAOYSA-N
XLogP6.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.81
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
9-chloro-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-12-one
CID 146209783
4-anthracen-9-yldibenzofuran
CID 167187282
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
7-chloro-5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran
CID 167440876
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
2-chloro-5-dibenzofuran-4-ylaniline
CID 166567147
4-(3-chloro-5-naphthalen-1-ylphenyl)dibenzofuran
CID 146440202
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
5,10-di(dibenzofuran-4-yl)benzo[g]isoquinoline
CID 59184089
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde?
The IUPAC name of 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde (CID 146209946) is 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde?
The canonical SMILES for 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde is O=Cc1cc(Cl)c2ccccc2c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde?
The InChIKey is JUVXBZUSCJLCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClO2/c24-20-12-14(13-25)22(17-8-2-1-6-15(17)20)19-10-5-9-18-16-7-3-4-11-21(16)26-23(18)19/h1-13H.
What are the key properties of 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde?
4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde has a molecular weight of 356.81 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 146209946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).