3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene

C56H34Se — CID 158253863

IUPAC3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C56H34Se/c1-2-16-36(17-3-1)52-45-23-10-12-25-47(45)55(48-26-13-11-24-46(48)52)50-28-14-27-49-40-32-31-39(34-51(40)57-56(49)50)54-43-21-8-6-19-41(43)53(42-20-7-9-22-44(42)54)38-30-29-35-15-4-5-18-37(35)33-38/h1-34H
InChIKeyISBNVRLQNMPGMT-UHFFFAOYSA-N
MW785.85 g/mol
LogP15.48
Rot. Bonds4

About 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene

3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 158253863) has the molecular formula C56H34Se and a molecular weight of 785.85 g/mol. Its IUPAC name is 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID158253863
Molecular FormulaC56H34Se
Molecular Weight785.85 g/mol
Exact Mass786.18
IUPAC Name3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C56H34Se/c1-2-16-36(17-3-1)52-45-23-10-12-25-47(45)55(48-26-13-11-24-46(48)52)50-28-14-27-49-40-32-31-39(34-51(40)57-56(49)50)54-43-21-8-6-19-41(43)53(42-20-7-9-22-44(42)54)38-30-29-35-15-4-5-18-37(35)33-38/h1-34H
InChIKeyISBNVRLQNMPGMT-UHFFFAOYSA-N
XLogP15.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.85
LogP ≤ 515.48
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

1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213
3-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-3-yl]anthracen-9-yl]dibenzofuran
CID 162445716
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]dibenzothiophene
CID 161388105
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 158253863) is 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene is c1ccc(-c2c3ccccc3c(-c3cccc4c3[se]c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is ISBNVRLQNMPGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34Se/c1-2-16-36(17-3-1)52-45-23-10-12-25-47(45)55(48-26-13-11-24-46(48)52)50-28-14-27-49-40-32-31-39(34-51(40)57-56(49)50)54-43-21-8-6-19-41(43)53(42-20-7-9-22-44(42)54)38-30-29-35-15-4-5-18-37(35)33-38/h1-34H.
What are the key properties of 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene has a molecular weight of 785.85 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 158253863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).