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

C40H22O3 — CID 176744625

IUPAC9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4cccc5c4oc4c6ccoc6ccc54)c4ccccc34)c12
InChIInChI=1S/C40H22O3/c1-3-11-25-23(9-1)36(31-15-8-18-35-38(31)29-13-5-6-17-34(29)42-35)24-10-2-4-12-26(24)37(25)32-16-7-14-27-28-19-20-33-30(21-22-41-33)39(28)43-40(27)32/h1-22H
InChIKeyNGUCWAIEOOJRTA-UHFFFAOYSA-N
MW550.61 g/mol
LogP11.87
Rot. Bonds2

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

9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran (PubChem CID 176744625) has the molecular formula C40H22O3 and a molecular weight of 550.61 g/mol. Its IUPAC name is 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran.

Molecular Properties

Compound Name9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
PubChem CID176744625
Molecular FormulaC40H22O3
Molecular Weight550.61 g/mol
Exact Mass550.16
IUPAC Name9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
SMILESc1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4cccc5c4oc4c6ccoc6ccc54)c4ccccc34)c12
InChIInChI=1S/C40H22O3/c1-3-11-25-23(9-1)36(31-15-8-18-35-38(31)29-13-5-6-17-34(29)42-35)24-10-2-4-12-26(24)37(25)32-16-7-14-27-28-19-20-33-30(21-22-41-33)39(28)43-40(27)32/h1-22H
InChIKeyNGUCWAIEOOJRTA-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

6-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[4,5-b][1]benzofuran
CID 176743583
5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
CID 176744255
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
9-(10-dibenzothiophen-4-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176743008
2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176743173
7-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176743048
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040
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
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
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?
The IUPAC name of 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran (CID 176744625) is 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran.
What is the SMILES notation for 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?
The canonical SMILES for 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran is c1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4cccc5c4oc4c6ccoc6ccc54)c4ccccc34)c12.
What is the InChIKey of 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?
The InChIKey is NGUCWAIEOOJRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22O3/c1-3-11-25-23(9-1)36(31-15-8-18-35-38(31)29-13-5-6-17-34(29)42-35)24-10-2-4-12-26(24)37(25)32-16-7-14-27-28-19-20-33-30(21-22-41-33)39(28)43-40(27)32/h1-22H.
What are the key properties of 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran?
9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-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 9-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran is sourced from PubChem (CID 176744625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).