9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran

C46H26O3 — CID 176743237

IUPAC9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4oc23)cc1
InChIInChI=1S/C46H26O3/c1-2-11-27(12-3-1)39-26-47-45-36(39)23-22-35-34-18-10-19-37(44(34)49-46(35)45)43-32-16-6-4-14-30(32)42(31-15-5-7-17-33(31)43)28-21-24-41-38(25-28)29-13-8-9-20-40(29)48-41/h1-26H
InChIKeyAQCMRWRMGUUQLA-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran

9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran (PubChem CID 176743237) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran.

Molecular Properties

Compound Name9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
PubChem CID176743237
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
SMILESc1ccc(-c2coc3c2ccc2c4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4oc23)cc1
InChIInChI=1S/C46H26O3/c1-2-11-27(12-3-1)39-26-47-45-36(39)23-22-35-34-18-10-19-37(44(34)49-46(35)45)43-32-16-6-4-14-30(32)42(31-15-5-7-17-33(31)43)28-21-24-41-38(25-28)29-13-8-9-20-40(29)48-41/h1-26H
InChIKeyAQCMRWRMGUUQLA-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

10-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176746040
7-(10-dibenzothiophen-1-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176743287
3-phenyl-9-[10-(2-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176743165
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744389
9-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[7,6-b][1]benzofuran
CID 176745436
10-(10-dibenzothiophen-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
CID 176744203
1-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744419
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176744112
deuteriomethane;2-(10-phenylanthracen-9-yl)dibenzofuran;2-phenyl-8-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-phenyl-6-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 158626220

Frequently Asked Questions

What is the IUPAC name of 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The IUPAC name of 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran (CID 176743237) is 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran.
What is the SMILES notation for 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The canonical SMILES for 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran is c1ccc(-c2coc3c2ccc2c4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4oc23)cc1.
What is the InChIKey of 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
The InChIKey is AQCMRWRMGUUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-11-27(12-3-1)39-26-47-45-36(39)23-22-35-34-18-10-19-37(44(34)49-46(35)45)43-32-16-6-4-14-30(32)42(31-15-5-7-17-33(31)43)28-21-24-41-38(25-28)29-13-8-9-20-40(29)48-41/h1-26H.
What are the key properties of 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran?
9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][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 9-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran is sourced from PubChem (CID 176743237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).