4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile

C37H23N5 — CID 152941236

IUPAC4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C37H23N5/c38-24-25-15-17-29(18-16-25)35-36(40-32-14-8-7-13-31(32)39-35)34-23-33(28-11-5-2-6-12-28)41-37(42-34)30-21-19-27(20-22-30)26-9-3-1-4-10-26/h1-23H
InChIKeyUMVOFDMZFAIACK-UHFFFAOYSA-N
MW537.63 g/mol
LogP8.63
Rot. Bonds5

About 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile

4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile (PubChem CID 152941236) has the molecular formula C37H23N5 and a molecular weight of 537.63 g/mol. Its IUPAC name is 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
PubChem CID152941236
Molecular FormulaC37H23N5
Molecular Weight537.63 g/mol
Exact Mass537.20
IUPAC Name4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C37H23N5/c38-24-25-15-17-29(18-16-25)35-36(40-32-14-8-7-13-31(32)39-35)34-23-33(28-11-5-2-6-12-28)41-37(42-34)30-21-19-27(20-22-30)26-9-3-1-4-10-26/h1-23H
InChIKeyUMVOFDMZFAIACK-UHFFFAOYSA-N
XLogP8.63
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]phenyl]benzonitrile
CID 153355034
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-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoxalin-2-yl]phenyl]benzonitrile
CID 146914119
4-[3-[4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]quinoxalin-2-yl]benzonitrile
CID 153354917
4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
CID 152975014
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-[2-(4-cyanophenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 170032601
2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 153244283
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile (CID 152941236) is 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The InChIKey is UMVOFDMZFAIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5/c38-24-25-15-17-29(18-16-25)35-36(40-32-14-8-7-13-31(32)39-35)34-23-33(28-11-5-2-6-12-28)41-37(42-34)30-21-19-27(20-22-30)26-9-3-1-4-10-26/h1-23H.
What are the key properties of 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile has a molecular weight of 537.63 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile is sourced from PubChem (CID 152941236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).