6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran

C52H30O3 — CID 176743305

IUPAC6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc24)cc1
InChIInChI=1S/C52H30O3/c1-3-14-31(15-4-1)49-43-30-46-42(29-47(43)55-51(49)32-16-5-2-6-17-32)41-28-33(26-27-45(41)53-46)48-35-19-7-9-21-37(35)50(38-22-10-8-20-36(38)48)40-24-13-23-39-34-18-11-12-25-44(34)54-52(39)40/h1-30H
InChIKeyAEBPEUVFSRRYRX-UHFFFAOYSA-N
MW702.81 g/mol
LogP15.21
Rot. Bonds4

About 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran

6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176743305) has the molecular formula C52H30O3 and a molecular weight of 702.81 g/mol. Its IUPAC name is 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176743305
Molecular FormulaC52H30O3
Molecular Weight702.81 g/mol
Exact Mass702.22
IUPAC Name6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc24)cc1
InChIInChI=1S/C52H30O3/c1-3-14-31(15-4-1)49-43-30-46-42(29-47(43)55-51(49)32-16-5-2-6-17-32)41-28-33(26-27-45(41)53-46)48-35-19-7-9-21-37(35)50(38-22-10-8-20-36(38)48)40-24-13-23-39-34-18-11-12-25-44(34)54-52(39)40/h1-30H
InChIKeyAEBPEUVFSRRYRX-UHFFFAOYSA-N
XLogP15.21
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.81
LogP ≤ 515.21
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)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176745348
2-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176743887
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744536
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743914
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
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-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 176745247
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 165011189
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176743305) is 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc35)cc24)cc1.
What is the InChIKey of 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is AEBPEUVFSRRYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O3/c1-3-14-31(15-4-1)49-43-30-46-42(29-47(43)55-51(49)32-16-5-2-6-17-32)41-28-33(26-27-45(41)53-46)48-35-19-7-9-21-37(35)50(38-22-10-8-20-36(38)48)40-24-13-23-39-34-18-11-12-25-44(34)54-52(39)40/h1-30H.
What are the key properties of 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 702.81 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176743305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).