7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran

C40H22O3 — CID 176746173

IUPAC7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccoc6cc45)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-11-29-27(9-1)38(24-16-17-26-33-22-35-23(18-19-41-35)20-37(33)42-36(26)21-24)28-10-2-4-12-30(28)39(29)32-14-7-13-31-25-8-5-6-15-34(25)43-40(31)32/h1-22H
InChIKeyPBCAAYYPFNUSOV-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

About 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran

7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176746173) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176746173
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccoc6cc45)c4ccccc34)cccc12
InChIInChI=1S/C40H22O3/c1-3-11-29-27(9-1)38(24-16-17-26-33-22-35-23(18-19-41-35)20-37(33)42-36(26)21-24)28-10-2-4-12-30(28)39(29)32-14-7-13-31-25-8-5-6-15-34(25)43-40(31)32/h1-22H
InChIKeyPBCAAYYPFNUSOV-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

8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744002
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
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
9-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176744574
7-(10-dibenzofuran-3-ylanthracen-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 153314427
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176745348
3-(1,2,3,4,5,6,7,8-octadeuterio-10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 153436590
5-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176743846

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran (CID 176746173) is 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc6ccoc6cc45)c4ccccc34)cccc12.
What is the InChIKey of 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is PBCAAYYPFNUSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-11-29-27(9-1)38(24-16-17-26-33-22-35-23(18-19-41-35)20-37(33)42-36(26)21-24)28-10-2-4-12-30(28)39(29)32-14-7-13-31-25-8-5-6-15-34(25)43-40(31)32/h1-22H.
What are the key properties of 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran?
7-(10-dibenzofuran-4-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 7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176746173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).