2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran

C58H34OSe — CID 158658340

IUPAC2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc34)c3ccccc23)cc1
InChIInChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-43-22-8-10-24-45(43)57(46-25-11-9-23-44(46)54)48-27-14-26-47-50-34-37(30-32-53(50)60-58(47)48)56-41-20-6-4-18-39(41)55(40-19-5-7-21-42(40)56)36-29-31-52-49(33-36)38-17-12-13-28-51(38)59-52/h1-34H
InChIKeyPZIIDYVJJVSUAH-UHFFFAOYSA-N
MW825.87 g/mol
LogP16.23
Rot. Bonds4

About 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran

2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran (PubChem CID 158658340) has the molecular formula C58H34OSe and a molecular weight of 825.87 g/mol. Its IUPAC name is 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
PubChem CID158658340
Molecular FormulaC58H34OSe
Molecular Weight825.87 g/mol
Exact Mass826.18
IUPAC Name2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc34)c3ccccc23)cc1
InChIInChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-43-22-8-10-24-45(43)57(46-25-11-9-23-44(46)54)48-27-14-26-47-50-34-37(30-32-53(50)60-58(47)48)56-41-20-6-4-18-39(41)55(40-19-5-7-21-42(40)56)36-29-31-52-49(33-36)38-17-12-13-28-51(38)59-52/h1-34H
InChIKeyPZIIDYVJJVSUAH-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

3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 162445716
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-phenyl-8-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 158817057
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
6-[3-(10-phenylanthracen-9-yl)phenyl]-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 122415782
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301

Frequently Asked Questions

What is the IUPAC name of 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran (CID 158658340) is 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3ccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cc34)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran?
The InChIKey is PZIIDYVJJVSUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34OSe/c1-2-15-35(16-3-1)54-43-22-8-10-24-45(43)57(46-25-11-9-23-44(46)54)48-27-14-26-47-50-34-37(30-32-53(50)60-58(47)48)56-41-20-6-4-18-39(41)55(40-19-5-7-21-42(40)56)36-29-31-52-49(33-36)38-17-12-13-28-51(38)59-52/h1-34H.
What are the key properties of 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran?
2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-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 2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 158658340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).