1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene

C60H36Se — CID 158380957

IUPAC1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/C60H36Se/c1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-36H
InChIKeyLRBNCIFDPRLNPZ-UHFFFAOYSA-N
MW835.91 g/mol
LogP16.64
Rot. Bonds4

About 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene

1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene (PubChem CID 158380957) has the molecular formula C60H36Se and a molecular weight of 835.91 g/mol. Its IUPAC name is 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
PubChem CID158380957
Molecular FormulaC60H36Se
Molecular Weight835.91 g/mol
Exact Mass836.20
IUPAC Name1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1
InChIInChI=1S/C60H36Se/c1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-36H
InChIKeyLRBNCIFDPRLNPZ-UHFFFAOYSA-N
XLogP16.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.91
LogP ≤ 516.64
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

7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
CID 160581170
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
2-phenyl-8-[10-[6-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 159766777
6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 162445713
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
9-[10-[6-[10-(3,6-diphenylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]-3,6-diphenylcarbazole
CID 159766778
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
9-(4-naphthalen-2-ylphenyl)-10-phenanthren-4-ylanthracene
CID 58194402
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene (CID 158380957) is 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene is c1ccc2cc(-c3c4ccccc4c(-c4cccc5c4[se]c4cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c45)c4ccccc34)ccc2c1.
What is the InChIKey of 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene?
The InChIKey is LRBNCIFDPRLNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36Se/c1-3-17-39-35-41(33-31-37(39)15-1)55-43-19-5-9-23-47(43)57(48-24-10-6-20-44(48)55)51-27-14-30-54-59(51)53-29-13-28-52(60(53)61-54)58-49-25-11-7-21-45(49)56(46-22-8-12-26-50(46)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-36H.
What are the key properties of 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene?
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene has a molecular weight of 835.91 g/mol, XLogP of 16.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 158380957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).