4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride

C33H21N3O — CID 163589433

IUPAC4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc5oc6nc7ccccc7nc6c5c4)cc3)cc2)cc1.[H][2H]
InChIInChI=1S/C33H19N3O.H2/c34-20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-31-28(19-27)32-33(37-31)36-30-4-2-1-3-29(30)35-32;/h1-19H;1H/i;1+1
InChIKeyGOGSCGOOIUUMCF-IEOVAKBOSA-N
MW476.56 g/mol
LogP8.65
Rot. Bonds3

About 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride

4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride (PubChem CID 163589433) has the molecular formula C33H21N3O and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride.

Molecular Properties

Compound Name4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride
PubChem CID163589433
Molecular FormulaC33H21N3O
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Name4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc5oc6nc7ccccc7nc6c5c4)cc3)cc2)cc1.[H][2H]
InChIInChI=1S/C33H19N3O.H2/c34-20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-31-28(19-27)32-33(37-31)36-30-4-2-1-3-29(30)35-32;/h1-19H;1H/i;1+1
InChIKeyGOGSCGOOIUUMCF-IEOVAKBOSA-N
XLogP8.65
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride with MolForge

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Related Compounds

2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
2-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273458
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
2-(4-phenylphenyl)-[1]benzofuro[2,3-b]quinoline
CID 159518374
19-(4-chlorophenyl)-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337303
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 158790533

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride?
The IUPAC name of 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride (CID 163589433) is 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride.
What is the SMILES notation for 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride?
The canonical SMILES for 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc5oc6nc7ccccc7nc6c5c4)cc3)cc2)cc1.[H][2H].
What is the InChIKey of 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride?
The InChIKey is GOGSCGOOIUUMCF-IEOVAKBOSA-N. The full InChI is InChI=1S/C33H19N3O.H2/c34-20-21-5-7-22(8-6-21)23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-31-28(19-27)32-33(37-31)36-30-4-2-1-3-29(30)35-32;/h1-19H;1H/i;1+1.
What are the key properties of 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride?
4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride has a molecular weight of 476.56 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride is sourced from PubChem (CID 163589433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).