4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile

C43H25N5O — CID 152975014

IUPAC4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C43H25N5O/c44-26-27-17-19-30(20-18-27)41-42(46-35-14-6-5-13-34(35)45-41)37-25-36(29-9-2-1-3-10-29)47-43(48-37)31-23-21-28(22-24-31)32-12-8-16-39-40(32)33-11-4-7-15-38(33)49-39/h1-25H
InChIKeyUTFWCKPORIQHRA-UHFFFAOYSA-N
MW627.71 g/mol
LogP10.53
Rot. Bonds5

About 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile

4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile (PubChem CID 152975014) has the molecular formula C43H25N5O and a molecular weight of 627.71 g/mol. Its IUPAC name is 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
PubChem CID152975014
Molecular FormulaC43H25N5O
Molecular Weight627.71 g/mol
Exact Mass627.21
IUPAC Name4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C43H25N5O/c44-26-27-17-19-30(20-18-27)41-42(46-35-14-6-5-13-34(35)45-41)37-25-36(29-9-2-1-3-10-29)47-43(48-37)31-23-21-28(22-24-31)32-12-8-16-39-40(32)33-11-4-7-15-38(33)49-39/h1-25H
InChIKeyUTFWCKPORIQHRA-UHFFFAOYSA-N
XLogP10.53
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.71
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)quinoxalin-2-yl]benzonitrile
CID 153355055
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]quinoxalin-2-yl]benzonitrile
CID 152941236
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[4-[4-(3-dibenzofuran-1-yl-5,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509423
4-[5-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]benzonitrile
CID 164834764
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The IUPAC name of 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile (CID 152975014) is 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccccc3nc2-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
The InChIKey is UTFWCKPORIQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5O/c44-26-27-17-19-30(20-18-27)41-42(46-35-14-6-5-13-34(35)45-41)37-25-36(29-9-2-1-3-10-29)47-43(48-37)31-23-21-28(22-24-31)32-12-8-16-39-40(32)33-11-4-7-15-38(33)49-39/h1-25H.
What are the key properties of 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile?
4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile has a molecular weight of 627.71 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-4-yl]quinoxalin-2-yl]benzonitrile is sourced from PubChem (CID 152975014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).