2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine

C40H26N2O3S — CID 164829435

IUPAC2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(Oc2ccc(-c3nc4oc5ccc(Sc6ccccc6)cc5c4nc3-c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H26N2O3S/c1-4-10-29(11-5-1)43-31-20-16-27(17-21-31)37-38(28-18-22-32(23-19-28)44-30-12-6-2-7-13-30)42-40-39(41-37)35-26-34(24-25-36(35)45-40)46-33-14-8-3-9-15-33/h1-26H
InChIKeyPWLBRRFRRUEPKD-UHFFFAOYSA-N
MW614.73 g/mol
LogP11.45
Rot. Bonds8

About 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine

2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 164829435) has the molecular formula C40H26N2O3S and a molecular weight of 614.73 g/mol. Its IUPAC name is 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine
PubChem CID164829435
Molecular FormulaC40H26N2O3S
Molecular Weight614.73 g/mol
Exact Mass614.17
IUPAC Name2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(Oc2ccc(-c3nc4oc5ccc(Sc6ccccc6)cc5c4nc3-c3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H26N2O3S/c1-4-10-29(11-5-1)43-31-20-16-27(17-21-31)37-38(28-18-22-32(23-19-28)44-30-12-6-2-7-13-30)42-40-39(41-37)35-26-34(24-25-36(35)45-40)46-33-14-8-3-9-15-33/h1-26H
InChIKeyPWLBRRFRRUEPKD-UHFFFAOYSA-N
XLogP11.45
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.73
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine 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

4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
6-[8-([1]benzofuro[2,3-b]pyridin-6-yl)dibenzofuran-2-yl]sulfanyl-[1]benzofuro[2,3-b]pyridine
CID 90250541
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
1-hydroxysulfanyl-4-phenoxybenzene
CID 140545785
2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433440
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-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
CID 167353771
2-phenoxybenzo[c]chromen-6-one
CID 164686095
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine (CID 164829435) is 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine is c1ccc(Oc2ccc(-c3nc4oc5ccc(Sc6ccccc6)cc5c4nc3-c3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is PWLBRRFRRUEPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O3S/c1-4-10-29(11-5-1)43-31-20-16-27(17-21-31)37-38(28-18-22-32(23-19-28)44-30-12-6-2-7-13-30)42-40-39(41-37)35-26-34(24-25-36(35)45-40)46-33-14-8-3-9-15-33/h1-26H.
What are the key properties of 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine?
2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 614.73 g/mol, XLogP of 11.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-phenoxyphenyl)-8-phenylsulfanyl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 164829435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).