5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran

C46H26O3 — CID 176744159

IUPAC5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
SMILESc1ccc(-c2cc3c(cc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c4c5ccccc5oc34)o2)cc1
InChIInChI=1S/C46H26O3/c1-2-13-27(14-3-1)40-25-35-41(48-40)26-36(45-33-20-9-11-23-38(33)49-46(35)45)43-30-17-6-4-15-28(30)42(29-16-5-7-18-31(29)43)34-21-12-24-39-44(34)32-19-8-10-22-37(32)47-39/h1-26H
InChIKeySAQBEGQVCOHTNE-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran

5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran (PubChem CID 176744159) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran.

Molecular Properties

Compound Name5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
PubChem CID176744159
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
SMILESc1ccc(-c2cc3c(cc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c4c5ccccc5oc34)o2)cc1
InChIInChI=1S/C46H26O3/c1-2-13-27(14-3-1)40-25-35-41(48-40)26-36(45-33-20-9-11-23-38(33)49-46(35)45)43-30-17-6-4-15-28(30)42(29-16-5-7-18-31(29)43)34-21-12-24-39-44(34)32-19-8-10-22-37(32)47-39/h1-26H
InChIKeySAQBEGQVCOHTNE-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

2-(10-dibenzofuran-1-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176743173
CID 174062186
CID 174062186
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
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
5-[1,2,3,4,5,6,7,8-octadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran
CID 176743916
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
5-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 174254499

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran?
The IUPAC name of 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran (CID 176744159) is 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran.
What is the SMILES notation for 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran?
The canonical SMILES for 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran is c1ccc(-c2cc3c(cc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c4c5ccccc5oc34)o2)cc1.
What is the InChIKey of 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran?
The InChIKey is SAQBEGQVCOHTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-13-27(14-3-1)40-25-35-41(48-40)26-36(45-33-20-9-11-23-38(33)49-46(35)45)43-30-17-6-4-15-28(30)42(29-16-5-7-18-31(29)43)34-21-12-24-39-44(34)32-19-8-10-22-37(32)47-39/h1-26H.
What are the key properties of 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran?
5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][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 5-(10-dibenzofuran-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[2,3-e][1]benzofuran is sourced from PubChem (CID 176744159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).