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

C54H36Se — CID 159371160

IUPAC1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESCc1cccc(C)c1-c1c2ccccc2c(-c2cccc3[se]c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12
InChIInChI=1S/C54H36Se/c1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50/h3-32H,1-2H3
InChIKeyIFQHAFIGWQCZAI-UHFFFAOYSA-N
MW763.84 g/mol
LogP14.95
Rot. Bonds4

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

1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene (PubChem CID 159371160) has the molecular formula C54H36Se and a molecular weight of 763.84 g/mol. Its IUPAC name is 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene.

Molecular Properties

Compound Name1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
PubChem CID159371160
Molecular FormulaC54H36Se
Molecular Weight763.84 g/mol
Exact Mass764.20
IUPAC Name1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene
SMILESCc1cccc(C)c1-c1c2ccccc2c(-c2cccc3[se]c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12
InChIInChI=1S/C54H36Se/c1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50/h3-32H,1-2H3
InChIKeyIFQHAFIGWQCZAI-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

3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 157215852
2-[10-(2,6-dimethylphenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 161194508
1-[10-(2,6-difluorophenyl)anthracen-9-yl]-6-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 158350942
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
9-phenyl-2-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906091
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
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
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine
CID 160703735

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene?
The IUPAC name of 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene (CID 159371160) is 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene.
What is the SMILES notation for 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene?
The canonical SMILES for 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene is Cc1cccc(C)c1-c1c2ccccc2c(-c2cccc3[se]c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4c23)c2ccccc12.
What is the InChIKey of 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene?
The InChIKey is IFQHAFIGWQCZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Se/c1-33-17-14-18-34(2)48(33)52-42-27-12-10-25-40(42)51(41-26-11-13-28-43(41)52)45-30-16-32-47-54(45)53-44(29-15-31-46(53)55-47)50-38-23-8-6-21-36(38)49(35-19-4-3-5-20-35)37-22-7-9-24-39(37)50/h3-32H,1-2H3.
What are the key properties of 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene?
1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(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 1-[10-(2,6-dimethylphenyl)anthracen-9-yl]-9-(10-phenylanthracen-9-yl)dibenzoselenophene is sourced from PubChem (CID 159371160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).