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

C54H36Se — CID 161194508

IUPAC2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESCc1cccc(C)c1-c1c2ccccc2c(-c2ccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c3c2)c2ccccc12
InChIInChI=1S/C54H36Se/c1-33-16-14-17-34(2)49(33)53-43-26-12-8-22-39(43)51(40-23-9-13-27-44(40)53)36-30-31-48-47(32-36)45-28-15-29-46(54(45)55-48)52-41-24-10-6-20-37(41)50(35-18-4-3-5-19-35)38-21-7-11-25-42(38)52/h3-32H,1-2H3
InChIKeyCPUKORJVJBCIDY-UHFFFAOYSA-N
MW763.84 g/mol
LogP14.95
Rot. Bonds4

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

2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 161194508) has the molecular formula C54H36Se and a molecular weight of 763.84 g/mol. Its IUPAC name is 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID161194508
Molecular FormulaC54H36Se
Molecular Weight763.84 g/mol
Exact Mass764.20
IUPAC Name2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESCc1cccc(C)c1-c1c2ccccc2c(-c2ccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c3c2)c2ccccc12
InChIInChI=1S/C54H36Se/c1-33-16-14-17-34(2)49(33)53-43-26-12-8-22-39(43)51(40-23-9-13-27-44(40)53)36-30-31-48-47(32-36)45-28-15-29-46(54(45)55-48)52-41-24-10-6-20-37(41)50(35-18-4-3-5-19-35)38-21-7-11-25-42(38)52/h3-32H,1-2H3
InChIKeyCPUKORJVJBCIDY-UHFFFAOYSA-N
XLogP14.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.84
LogP ≤ 514.95
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-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
2-[10-[6-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]dibenzofuran
CID 158658340
[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl] nitrate
CID 168748463
6-(10-cyclohexylanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 157102441
3-(10-naphthalen-2-ylanthracen-9-yl)-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158253863
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159371160
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]dibenzothiophene
CID 161388105
2,6-bis[10-(2-adamantyl)anthracen-9-yl]dibenzoselenophene
CID 160966210
2-methyl-6-(2-methylphenyl)dibenzoselenophene
CID 141467993
2-[10-(3-tert-butyl-5-ethylphenyl)anthracen-9-yl]-6-[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzoselenophene
CID 158735479
6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159872213

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 161194508) is 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene is Cc1cccc(C)c1-c1c2ccccc2c(-c2ccc3[se]c4c(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cccc4c3c2)c2ccccc12.
What is the InChIKey of 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is CPUKORJVJBCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Se/c1-33-16-14-17-34(2)49(33)53-43-26-12-8-22-39(43)51(40-23-9-13-27-44(40)53)36-30-31-48-47(32-36)45-28-15-29-46(54(45)55-48)52-41-24-10-6-20-37(41)50(35-18-4-3-5-19-35)38-21-7-11-25-42(38)52/h3-32H,1-2H3.
What are the key properties of 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene?
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene has a molecular weight of 763.84 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 161194508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).