7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene

C32H20Se — CID 59245802

IUPAC7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3cc[se]c23)c1
InChIInChI=1S/C32H20Se/c1-2-12-28-26(10-1)27-11-3-4-13-29(27)31-20-23(15-16-30(28)31)22-8-5-9-24(19-22)25-14-6-7-21-17-18-33-32(21)25/h1-20H
InChIKeyUJJSKZLKDRXBKN-UHFFFAOYSA-N
MW483.47 g/mol
LogP8.69
Rot. Bonds2

About 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene

7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene (PubChem CID 59245802) has the molecular formula C32H20Se and a molecular weight of 483.47 g/mol. Its IUPAC name is 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene.

Molecular Properties

Compound Name7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
PubChem CID59245802
Molecular FormulaC32H20Se
Molecular Weight483.47 g/mol
Exact Mass484.07
IUPAC Name7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3cc[se]c23)c1
InChIInChI=1S/C32H20Se/c1-2-12-28-26(10-1)27-11-3-4-13-29(27)31-20-23(15-16-30(28)31)22-8-5-9-24(19-22)25-14-6-7-21-17-18-33-32(21)25/h1-20H
InChIKeyUJJSKZLKDRXBKN-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 58.69
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_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 137389366
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612

Frequently Asked Questions

What is the IUPAC name of 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The IUPAC name of 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene (CID 59245802) is 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene.
What is the SMILES notation for 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The canonical SMILES for 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3cc[se]c23)c1.
What is the InChIKey of 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
The InChIKey is UJJSKZLKDRXBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Se/c1-2-12-28-26(10-1)27-11-3-4-13-29(27)31-20-23(15-16-30(28)31)22-8-5-9-24(19-22)25-14-6-7-21-17-18-33-32(21)25/h1-20H.
What are the key properties of 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene?
7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene has a molecular weight of 483.47 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-triphenylen-2-ylphenyl)-1-benzoselenophene is sourced from PubChem (CID 59245802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).