2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran

C40H22O3 — CID 176744840

IUPAC2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5cc6oc7ccccc7c6cc5o4)c4ccccc34)cc12
InChIInChI=1S/C40H22O3/c1-3-13-29-27(11-1)39(23-17-18-35-31(19-23)25-9-5-7-15-33(25)41-35)28-12-2-4-14-30(28)40(29)38-21-24-20-37-32(22-36(24)43-38)26-10-6-8-16-34(26)42-37/h1-22H
InChIKeyYINPQTGTSFGDCD-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

About 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran

2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176744840) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176744840
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5cc6oc7ccccc7c6cc5o4)c4ccccc34)cc12
InChIInChI=1S/C40H22O3/c1-3-13-29-27(11-1)39(23-17-18-35-31(19-23)25-9-5-7-15-33(25)41-35)28-12-2-4-14-30(28)40(29)38-21-24-20-37-32(22-36(24)43-38)26-10-6-8-16-34(26)42-37/h1-22H
InChIKeyYINPQTGTSFGDCD-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

19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 174264298
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
2-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[5,6-b][1]benzofuran
CID 176745980
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
7-(10-dibenzofuran-2-ylanthracen-9-yl)-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130190316
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-[3-(10-phenylanthracen-9-yl)phenyl]-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 122415782
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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 122415848

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (CID 176744840) is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cc5cc6oc7ccccc7c6cc5o4)c4ccccc34)cc12.
What is the InChIKey of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is YINPQTGTSFGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-13-29-27(11-1)39(23-17-18-35-31(19-23)25-9-5-7-15-33(25)41-35)28-12-2-4-14-30(28)40(29)38-21-24-20-37-32(22-36(24)43-38)26-10-6-8-16-34(26)42-37/h1-22H.
What are the key properties of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][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 2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176744840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).