4-anthracen-9-yldibenzofuran

C26H16O — CID 167187282

IUPAC4-anthracen-9-yldibenzofuran
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H16O/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)25(19)23-14-7-13-22-21-12-5-6-15-24(21)27-26(22)23/h1-16H
InChIKeyCLHFZRBFRMPELZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP7.56
Rot. Bonds1

About 4-anthracen-9-yldibenzofuran

4-anthracen-9-yldibenzofuran (PubChem CID 167187282) has the molecular formula C26H16O and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-anthracen-9-yldibenzofuran.

Molecular Properties

Compound Name4-anthracen-9-yldibenzofuran
PubChem CID167187282
Molecular FormulaC26H16O
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name4-anthracen-9-yldibenzofuran
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H16O/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)25(19)23-14-7-13-22-21-12-5-6-15-24(21)27-26(22)23/h1-16H
InChIKeyCLHFZRBFRMPELZ-UHFFFAOYSA-N
XLogP7.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-anthracen-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170654328
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 153436636
2-(10-dibenzofuran-4-ylanthracen-9-yl)benzo[g][1]benzofuran
CID 174306733
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856
4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 58323221
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
4-(10-dibenzofuran-4-ylanthracen-9-yl)-2-(4-phenylphenyl)benzo[e][1]benzofuran
CID 174307459
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
CID 87156910

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yldibenzofuran?
The IUPAC name of 4-anthracen-9-yldibenzofuran (CID 167187282) is 4-anthracen-9-yldibenzofuran.
What is the SMILES notation for 4-anthracen-9-yldibenzofuran?
The canonical SMILES for 4-anthracen-9-yldibenzofuran is c1ccc2c(-c3cccc4c3oc3ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 4-anthracen-9-yldibenzofuran?
The InChIKey is CLHFZRBFRMPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)25(19)23-14-7-13-22-21-12-5-6-15-24(21)27-26(22)23/h1-16H.
What are the key properties of 4-anthracen-9-yldibenzofuran?
4-anthracen-9-yldibenzofuran has a molecular weight of 344.41 g/mol, XLogP of 7.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yldibenzofuran is sourced from PubChem (CID 167187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).