3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran

C58H34OSe — CID 162445716

IUPAC3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-45-22-8-10-24-47(45)57(48-25-11-9-23-46(48)54)50-27-14-26-49-40-32-30-37(34-53(40)60-58(49)50)56-43-20-6-4-18-41(43)55(42-19-5-7-21-44(42)56)36-29-31-39-38-17-12-13-28-51(38)59-52(39)33-36/h1-34H
InChIKeyVTIQXJSRHLWDEM-UHFFFAOYSA-N
MW825.87 g/mol
LogP16.23
Rot. Bonds4

About 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran

3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran (PubChem CID 162445716) has the molecular formula C58H34OSe and a molecular weight of 825.87 g/mol. Its IUPAC name is 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
PubChem CID162445716
Molecular FormulaC58H34OSe
Molecular Weight825.87 g/mol
Exact Mass826.18
IUPAC Name3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-45-22-8-10-24-47(45)57(48-25-11-9-23-46(48)54)50-27-14-26-49-40-32-30-37(34-53(40)60-58(49)50)56-43-20-6-4-18-41(43)55(42-19-5-7-21-44(42)56)36-29-31-39-38-17-12-13-28-51(38)59-52(39)33-36/h1-34H
InChIKeyVTIQXJSRHLWDEM-UHFFFAOYSA-N
XLogP16.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.87
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
CID 158658340
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
7-[10-(2-phenylphenyl)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 170654309
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915

Frequently Asked Questions

What is the IUPAC name of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran (CID 162445716) is 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
The InChIKey is VTIQXJSRHLWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-45-22-8-10-24-47(45)57(48-25-11-9-23-46(48)54)50-27-14-26-49-40-32-30-37(34-53(40)60-58(49)50)56-43-20-6-4-18-41(43)55(42-19-5-7-21-44(42)56)36-29-31-39-38-17-12-13-28-51(38)59-52(39)33-36/h1-34H.
What are the key properties of 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran?
3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 825.87 g/mol, XLogP of 16.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 162445716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).