5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran

C40H22O3 — CID 176744255

IUPAC5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cc5occc5c5oc6ccccc6c45)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-13-26-24(11-1)36(31-17-9-16-28-23-10-5-7-18-33(23)42-39(28)31)25-12-2-4-14-27(25)37(26)32-22-35-30(20-21-41-35)40-38(32)29-15-6-8-19-34(29)43-40/h1-22H
InChIKeyMADFCBATMGEAND-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

About 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran

5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran (PubChem CID 176744255) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran.

Molecular Properties

Compound Name5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
PubChem CID176744255
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cc5occc5c5oc6ccccc6c45)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-13-26-24(11-1)36(31-17-9-16-28-23-10-5-7-18-33(23)42-39(28)31)25-12-2-4-14-27(25)37(26)32-22-35-30(20-21-41-35)40-38(32)29-15-6-8-19-34(29)43-40/h1-22H
InChIKeyMADFCBATMGEAND-UHFFFAOYSA-N
XLogP11.87
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744625
5-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]-[1]benzofuro[2,3-e][1]benzofuran
CID 176743099
7-[10-([1]benzofuro[3,2-e][1]benzofuran-8-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174264120
4-anthracen-9-yldibenzofuran
CID 167187282
7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176743048
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran?
The IUPAC name of 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran (CID 176744255) is 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran.
What is the SMILES notation for 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran?
The canonical SMILES for 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran is c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4cc5occc5c5oc6ccccc6c45)c4ccccc34)cccc12.
What is the InChIKey of 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran?
The InChIKey is MADFCBATMGEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-13-26-24(11-1)36(31-17-9-16-28-23-10-5-7-18-33(23)42-39(28)31)25-12-2-4-14-27(25)37(26)32-22-35-30(20-21-41-35)40-38(32)29-15-6-8-19-34(29)43-40/h1-22H.
What are the key properties of 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran?
5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran has a molecular weight of 550.61 g/mol, XLogP of 11.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran is sourced from PubChem (CID 176744255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).