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

C40H22O3 — CID 176744574

IUPAC9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5oc6ccc7ccoc7c6c5c4)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-11-28-26(9-1)36(24-17-18-34-32(22-24)38-35(42-34)19-16-23-20-21-41-39(23)38)27-10-2-4-12-29(27)37(28)31-14-7-13-30-25-8-5-6-15-33(25)43-40(30)31/h1-22H
InChIKeyLHZDZPTVYNNBOM-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

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

9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176744574) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176744574
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5oc6ccc7ccoc7c6c5c4)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-11-28-26(9-1)36(24-17-18-34-32(22-24)38-35(42-34)19-16-23-20-21-41-39(23)38)27-10-2-4-12-29(27)37(28)31-14-7-13-30-25-8-5-6-15-33(25)43-40(30)31/h1-22H
InChIKeyLHZDZPTVYNNBOM-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-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
7-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176745766
5-[10-[2-(1-benzofuran-7-yl)phenyl]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 170212467
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743196
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 159387963
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran (CID 176744574) is 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5oc6ccc7ccoc7c6c5c4)c4ccccc34)cccc12.
What is the InChIKey of 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is LHZDZPTVYNNBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-11-28-26(9-1)36(24-17-18-34-32(22-24)38-35(42-34)19-16-23-20-21-41-39(23)38)27-10-2-4-12-29(27)37(28)31-14-7-13-30-25-8-5-6-15-33(25)43-40(30)31/h1-22H.
What are the key properties of 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran?
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][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 9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176744574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).