2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran

C40H22O3 — CID 176744869

IUPAC2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1c2ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc21
InChIInChI=1S/C40H22O3/c1-3-13-27-25(11-1)36(31-16-9-19-34-38(31)30-15-6-8-18-33(30)41-34)26-12-2-4-14-28(26)37(27)35-22-23-20-21-29-24-10-5-7-17-32(24)42-40(29)39(23)43-35/h1-22H
InChIKeyNONIYQGEMMZRRA-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

About 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran

2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176744869) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176744869
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1c2ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc21
InChIInChI=1S/C40H22O3/c1-3-13-27-25(11-1)36(31-16-9-19-34-38(31)30-15-6-8-18-33(30)41-34)26-12-2-4-14-28(26)37(27)35-22-23-20-21-29-24-10-5-7-17-32(24)42-40(29)39(23)43-35/h1-22H
InChIKeyNONIYQGEMMZRRA-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

2-(10-dibenzothiophen-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176744690
2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176743173
2-(10-dibenzofuran-4-ylanthracen-9-yl)benzo[g][1]benzofuran
CID 174306733
1-(10-benzo[f][1]benzofuran-2-ylanthracen-9-yl)dibenzofuran
CID 174306698
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743230
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
17-(10-naphthalen-1-ylanthracen-9-yl)-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 122415718

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran (CID 176744869) is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran is c1ccc2c(c1)oc1c2ccc2cc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc21.
What is the InChIKey of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is NONIYQGEMMZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-13-27-25(11-1)36(31-16-9-19-34-38(31)30-15-6-8-18-33(30)41-34)26-12-2-4-14-28(26)37(27)35-22-23-20-21-29-24-10-5-7-17-32(24)42-40(29)39(23)43-35/h1-22H.
What are the key properties of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran?
2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[7,6-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-1-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176744869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).