4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile

C41H25N3O — CID 156509421

IUPAC4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C41H25N3O/c42-26-27-15-17-28(18-16-27)29-19-21-32(22-20-29)40-41(33-23-24-37-35(25-33)34-13-7-8-14-36(34)45-37)44-39(31-11-5-2-6-12-31)38(43-40)30-9-3-1-4-10-30/h1-25H
InChIKeyLKIWTWMGJQEDQD-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.58
Rot. Bonds5

About 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile

4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile (PubChem CID 156509421) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
PubChem CID156509421
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C41H25N3O/c42-26-27-15-17-28(18-16-27)29-19-21-32(22-20-29)40-41(33-23-24-37-35(25-33)34-13-7-8-14-36(34)45-37)44-39(31-11-5-2-6-12-31)38(43-40)30-9-3-1-4-10-30/h1-25H
InChIKeyLKIWTWMGJQEDQD-UHFFFAOYSA-N
XLogP10.58
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
4-[4-[4-(3-dibenzofuran-1-yl-5,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509423
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
3-[6-[3-dibenzofuran-2-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 171584105
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
4-[3-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]phenyl]benzonitrile
CID 167085225
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
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-dibenzofuran-2-yl-5-[4-(3-dimethylphosphorylphenyl)phenyl]-3,6-diphenylpyrazine
CID 156509370

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile (CID 156509421) is 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile?
The InChIKey is LKIWTWMGJQEDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c42-26-27-15-17-28(18-16-27)29-19-21-32(22-20-29)40-41(33-23-24-37-35(25-33)34-13-7-8-14-36(34)45-37)44-39(31-11-5-2-6-12-31)38(43-40)30-9-3-1-4-10-30/h1-25H.
What are the key properties of 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile?
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile has a molecular weight of 575.67 g/mol, XLogP of 10.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 156509421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).