4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole

C22H16FNSe2 — CID 135000849

IUPAC4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole
SMILESFc1ccc(Cc2nc(-c3ccccc3)[se]c2[Se]c2ccccc2)cc1
InChIInChI=1S/C22H16FNSe2/c23-18-13-11-16(12-14-18)15-20-22(25-19-9-5-2-6-10-19)26-21(24-20)17-7-3-1-4-8-17/h1-14H,15H2
InChIKeyJQMHCNIIVQDRIF-UHFFFAOYSA-N
MW471.30 g/mol
LogP3.19
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole

4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole (PubChem CID 135000849) has the molecular formula C22H16FNSe2 and a molecular weight of 471.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole
PubChem CID135000849
Molecular FormulaC22H16FNSe2
Molecular Weight471.30 g/mol
Exact Mass472.96
IUPAC Name4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole
SMILESFc1ccc(Cc2nc(-c3ccccc3)[se]c2[Se]c2ccccc2)cc1
InChIInChI=1S/C22H16FNSe2/c23-18-13-11-16(12-14-18)15-20-22(25-19-9-5-2-6-10-19)26-21(24-20)17-7-3-1-4-8-17/h1-14H,15H2
InChIKeyJQMHCNIIVQDRIF-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
CID 139072612
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
CID 139449779
4-[[4-(4-fluorophenoxy)phenyl]methyl]quinazolin-2-amine
CID 123262074
CID 162321965
CID 162321965
4-benzyl-5-phenyl-2H-triazole
CID 90419782
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
2-[(4-fluorophenyl)methyl]-1,3-dimethylbenzene
CID 158519534
2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine
CID 144600351
6-[(4-fluorophenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82554304

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole (CID 135000849) is 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole is Fc1ccc(Cc2nc(-c3ccccc3)[se]c2[Se]c2ccccc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole?
The InChIKey is JQMHCNIIVQDRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNSe2/c23-18-13-11-16(12-14-18)15-20-22(25-19-9-5-2-6-10-19)26-21(24-20)17-7-3-1-4-8-17/h1-14H,15H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole?
4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole has a molecular weight of 471.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole is sourced from PubChem (CID 135000849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).