4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C44H24N4O2S — CID 174253847

IUPAC4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESc1ccc(-c2nc3c(-c4ccc5c(c4)oc4ccccc45)c4nsnc4c(-c4ccc5c(c4)oc4ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H24N4O2S/c1-3-11-25(12-4-1)39-40(26-13-5-2-6-14-26)46-42-38(28-20-22-32-30-16-8-10-18-34(30)50-36(32)24-28)44-43(47-51-48-44)37(41(42)45-39)27-19-21-31-29-15-7-9-17-33(29)49-35(31)23-27/h1-24H
InChIKeyNYACRYZCPSBTFD-UHFFFAOYSA-N
MW672.77 g/mol
LogP12.10
Rot. Bonds4

About 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 174253847) has the molecular formula C44H24N4O2S and a molecular weight of 672.77 g/mol. Its IUPAC name is 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID174253847
Molecular FormulaC44H24N4O2S
Molecular Weight672.77 g/mol
Exact Mass672.16
IUPAC Name4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESc1ccc(-c2nc3c(-c4ccc5c(c4)oc4ccccc45)c4nsnc4c(-c4ccc5c(c4)oc4ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H24N4O2S/c1-3-11-25(12-4-1)39-40(26-13-5-2-6-14-26)46-42-38(28-20-22-32-30-16-8-10-18-34(30)50-36(32)24-28)44-43(47-51-48-44)37(41(42)45-39)27-19-21-31-29-15-7-9-17-33(29)49-35(31)23-27/h1-24H
InChIKeyNYACRYZCPSBTFD-UHFFFAOYSA-N
XLogP12.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
CID 174256393
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810

Frequently Asked Questions

What is the IUPAC name of 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 174253847) is 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is c1ccc(-c2nc3c(-c4ccc5c(c4)oc4ccccc45)c4nsnc4c(-c4ccc5c(c4)oc4ccccc45)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is NYACRYZCPSBTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S/c1-3-11-25(12-4-1)39-40(26-13-5-2-6-14-26)46-42-38(28-20-22-32-30-16-8-10-18-34(30)50-36(32)24-28)44-43(47-51-48-44)37(41(42)45-39)27-19-21-31-29-15-7-9-17-33(29)49-35(31)23-27/h1-24H.
What are the key properties of 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 672.77 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 174253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).