4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile

C34H21N3Se — CID 176669075

IUPAC4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1
InChIInChI=1S/C34H21N3Se/c35-22-23-17-19-25(20-18-23)28-21-27(24-9-2-1-3-10-24)26-11-8-14-31(34(26)36-28)37-29-12-4-6-15-32(29)38-33-16-7-5-13-30(33)37/h1-21H
InChIKeyLQKLLBILYGXSLB-UHFFFAOYSA-N
MW550.52 g/mol
LogP6.88
Rot. Bonds3

About 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile

4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile (PubChem CID 176669075) has the molecular formula C34H21N3Se and a molecular weight of 550.52 g/mol. Its IUPAC name is 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
PubChem CID176669075
Molecular FormulaC34H21N3Se
Molecular Weight550.52 g/mol
Exact Mass551.09
IUPAC Name4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1
InChIInChI=1S/C34H21N3Se/c35-22-23-17-19-25(20-18-23)28-21-27(24-9-2-1-3-10-24)26-11-8-14-31(34(26)36-28)37-29-12-4-6-15-32(29)38-33-16-7-5-13-30(33)37/h1-21H
InChIKeyLQKLLBILYGXSLB-UHFFFAOYSA-N
XLogP6.88
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.52
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
CID 176669081
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
4-(4-acridin-9-ylphenyl)-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161103794
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604
2-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161310486
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935

Frequently Asked Questions

What is the IUPAC name of 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile?
The IUPAC name of 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile (CID 176669075) is 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile.
What is the SMILES notation for 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile?
The canonical SMILES for 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1.
What is the InChIKey of 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile?
The InChIKey is LQKLLBILYGXSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3Se/c35-22-23-17-19-25(20-18-23)28-21-27(24-9-2-1-3-10-24)26-11-8-14-31(34(26)36-28)37-29-12-4-6-15-32(29)38-33-16-7-5-13-30(33)37/h1-21H.
What are the key properties of 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile?
4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile has a molecular weight of 550.52 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile is sourced from PubChem (CID 176669075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).