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

C46H26O3 — CID 176746040

IUPAC10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2oc4cccc(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)c4c23)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)37-26-47-46-34(37)24-25-40-44(46)43-35(20-11-23-39(43)48-40)41-29-15-4-6-17-31(29)42(32-18-7-5-16-30(32)41)36-21-10-19-33-28-14-8-9-22-38(28)49-45(33)36/h1-26H
InChIKeyFKNKWZOCFHYMSQ-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

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

10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176746040) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176746040
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2oc4cccc(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)c4c23)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)37-26-47-46-34(37)24-25-40-44(46)43-35(20-11-23-39(43)48-40)41-29-15-4-6-17-31(29)42(32-18-7-5-16-30(32)41)36-21-10-19-33-28-14-8-9-22-38(28)49-45(33)36/h1-26H
InChIKeyFKNKWZOCFHYMSQ-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 513.54
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

4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743237
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176743165
7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743287
8-[10-(2,6-diphenylphenyl)anthracen-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 171447445
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
3-naphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 176743645
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 174297149
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167393021
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395

Frequently Asked Questions

What is the IUPAC name of 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran (CID 176746040) is 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2coc3c2ccc2oc4cccc(-c5c6ccccc6c(-c6cccc7c6oc6ccccc67)c6ccccc56)c4c23)cc1.
What is the InChIKey of 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is FKNKWZOCFHYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-12-27(13-3-1)37-26-47-46-34(37)24-25-40-44(46)43-35(20-11-23-39(43)48-40)41-29-15-4-6-17-31(29)42(32-18-7-5-16-30(32)41)36-21-10-19-33-28-14-8-9-22-38(28)49-45(33)36/h1-26H.
What are the key properties of 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176746040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).