3-(5,6-diphenylpyrazin-2-yl)benzonitrile

C23H15N3 — CID 66672885

IUPAC3-(5,6-diphenylpyrazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C23H15N3/c24-15-17-8-7-13-20(14-17)21-16-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,16H
InChIKeyXHPBHJKPYKHWDD-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.35
Rot. Bonds3

About 3-(5,6-diphenylpyrazin-2-yl)benzonitrile

3-(5,6-diphenylpyrazin-2-yl)benzonitrile (PubChem CID 66672885) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(5,6-diphenylpyrazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(5,6-diphenylpyrazin-2-yl)benzonitrile
PubChem CID66672885
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name3-(5,6-diphenylpyrazin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C23H15N3/c24-15-17-8-7-13-20(14-17)21-16-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,16H
InChIKeyXHPBHJKPYKHWDD-UHFFFAOYSA-N
XLogP5.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoxalin-2-yl]phenyl]benzonitrile
CID 146914119
3-[4-[3-(2,6-diphenylpyrimidin-4-yl)quinoxalin-2-yl]phenyl]benzonitrile
CID 153354912
3-[3-(2,6-diphenylpyrimidin-4-yl)quinoxalin-2-yl]benzonitrile
CID 153355113
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
2-(2-methylphenyl)-3-phenyl-5-(3-phenylphenyl)pyrazine
CID 118267385
7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167064080
3-[3-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]quinoxalin-2-yl]benzonitrile
CID 147109877
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diphenylpyrazin-2-yl)benzonitrile?
The IUPAC name of 3-(5,6-diphenylpyrazin-2-yl)benzonitrile (CID 66672885) is 3-(5,6-diphenylpyrazin-2-yl)benzonitrile.
What is the SMILES notation for 3-(5,6-diphenylpyrazin-2-yl)benzonitrile?
The canonical SMILES for 3-(5,6-diphenylpyrazin-2-yl)benzonitrile is N#Cc1cccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(5,6-diphenylpyrazin-2-yl)benzonitrile?
The InChIKey is XHPBHJKPYKHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c24-15-17-8-7-13-20(14-17)21-16-25-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-14,16H.
What are the key properties of 3-(5,6-diphenylpyrazin-2-yl)benzonitrile?
3-(5,6-diphenylpyrazin-2-yl)benzonitrile has a molecular weight of 333.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diphenylpyrazin-2-yl)benzonitrile is sourced from PubChem (CID 66672885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).