1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene

C52H30F2Se — CID 158350942

IUPAC1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESFc1cccc(F)c1-c1c2ccccc2c(-c2cccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c23)c2ccccc12
InChIInChI=1S/C52H30F2Se/c53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)47(37-22-9-11-24-39(37)50)40-25-13-30-45-49(40)42-27-12-26-41(52(42)55-45)48-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)48/h1-30H
InChIKeyOUWFELZPVSCNRP-UHFFFAOYSA-N
MW771.77 g/mol
LogP14.61
Rot. Bonds4

About 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene

1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 158350942) has the molecular formula C52H30F2Se and a molecular weight of 771.77 g/mol. Its IUPAC name is 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID158350942
Molecular FormulaC52H30F2Se
Molecular Weight771.77 g/mol
Exact Mass772.15
IUPAC Name1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESFc1cccc(F)c1-c1c2ccccc2c(-c2cccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c23)c2ccccc12
InChIInChI=1S/C52H30F2Se/c53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)47(37-22-9-11-24-39(37)50)40-25-13-30-45-49(40)42-27-12-26-41(52(42)55-45)48-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)48/h1-30H
InChIKeyOUWFELZPVSCNRP-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.77
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 162445713
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
2-phenyl-8-[10-[6-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 159766777
2-methyl-5-[10-[6-[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 162127231
9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159766778
7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
CID 160581170
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 157215852
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 158350942) is 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene is Fc1cccc(F)c1-c1c2ccccc2c(-c2cccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c23)c2ccccc12.
What is the InChIKey of 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is OUWFELZPVSCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30F2Se/c53-43-28-14-29-44(54)51(43)50-38-23-10-8-21-36(38)47(37-22-9-11-24-39(37)50)40-25-13-30-45-49(40)42-27-12-26-41(52(42)55-45)48-34-19-6-4-17-32(34)46(31-15-2-1-3-16-31)33-18-5-7-20-35(33)48/h1-30H.
What are the key properties of 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene has a molecular weight of 771.77 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 158350942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).