6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene

C46H28Se — CID 162445713

IUPAC6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILES[2H]c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12
InChIInChI=1S/C46H28Se/c1-2-14-29(15-3-1)42-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)42)38-24-13-27-41-45(38)40-26-12-25-39(46(40)47-41)43-32-18-6-4-16-30(32)28-31-17-5-7-19-33(31)43/h1-28H/i28D
InChIKeyHPGUDPSAQTZMSB-GURDRIGVSA-N
MW660.70 g/mol
LogP12.66
Rot. Bonds3

About 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene

6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 162445713) has the molecular formula C46H28Se and a molecular weight of 660.70 g/mol. Its IUPAC name is 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID162445713
Molecular FormulaC46H28Se
Molecular Weight660.70 g/mol
Exact Mass661.14
IUPAC Name6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILES[2H]c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12
InChIInChI=1S/C46H28Se/c1-2-14-29(15-3-1)42-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)42)38-24-13-27-41-45(38)40-26-12-25-39(46(40)47-41)43-32-18-6-4-16-30(32)28-31-17-5-7-19-33(31)43/h1-28H/i28D
InChIKeyHPGUDPSAQTZMSB-GURDRIGVSA-N
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.70
LogP ≤ 512.66
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-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
1-[10-(2-isocyanophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350943
1,6-bis(10-naphthalen-2-ylanthracen-9-yl)dibenzoselenophene
CID 158380957
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
2-phenyl-8-[10-[6-[10-(8-phenyldibenzothiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 159766777
7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
CID 160581170
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
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
3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 157215852
2-methyl-5-[10-[6-[10-(5-methylthiophen-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 162127231

Frequently Asked Questions

What is the IUPAC name of 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 162445713) is 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene is [2H]c1c2ccccc2c(-c2cccc3c2[se]c2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c23)c2ccccc12.
What is the InChIKey of 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is HPGUDPSAQTZMSB-GURDRIGVSA-N. The full InChI is InChI=1S/C46H28Se/c1-2-14-29(15-3-1)42-34-20-8-10-22-36(34)44(37-23-11-9-21-35(37)42)38-24-13-27-41-45(38)40-26-12-25-39(46(40)47-41)43-32-18-6-4-16-30(32)28-31-17-5-7-19-33(31)43/h1-28H/i28D.
What are the key properties of 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene?
6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene has a molecular weight of 660.70 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-deuterioanthracen-9-yl)-1-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 162445713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).