2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline

C36H20N2OS — CID 134273527

IUPAC2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
SMILESc1cc(-c2ccc3sc4nc5ccccc5nc4c3c2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1
InChIInChI=1S/C36H20N2OS/c1-2-10-25-21(7-1)15-17-31-33(25)27-12-6-11-26(35(27)39-31)24-9-5-8-22(19-24)23-16-18-32-28(20-23)34-36(40-32)38-30-14-4-3-13-29(30)37-34/h1-20H
InChIKeyYCNAWEWGWNSJMG-UHFFFAOYSA-N
MW528.64 g/mol
LogP10.38
Rot. Bonds2

About 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline

2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline (PubChem CID 134273527) has the molecular formula C36H20N2OS and a molecular weight of 528.64 g/mol. Its IUPAC name is 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
PubChem CID134273527
Molecular FormulaC36H20N2OS
Molecular Weight528.64 g/mol
Exact Mass528.13
IUPAC Name2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
SMILESc1cc(-c2ccc3sc4nc5ccccc5nc4c3c2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1
InChIInChI=1S/C36H20N2OS/c1-2-10-25-21(7-1)15-17-31-33(25)27-12-6-11-26(35(27)39-31)24-9-5-8-22(19-24)23-16-18-32-28(20-23)34-36(40-32)38-30-14-4-3-13-29(30)37-34/h1-20H
InChIKeyYCNAWEWGWNSJMG-UHFFFAOYSA-N
XLogP10.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline with MolForge

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Related Compounds

3,8-bis(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600329
2-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]quinoxaline;2-(3-dibenzofuran-2-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-(3-dibenzothiophen-2-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline;2-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 158491280
2-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134430112
2,8-bis(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600420
2,8-bis(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273557
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]quinoxaline
CID 134273564
17-(3-dibenzothiophen-4-ylphenyl)-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene
CID 162489714
3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159603880
2-[3-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139576754
2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 177079205
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
8-[3-(3-diphenylphosphorylphenyl)phenyl]naphtho[2,1-b][1]benzofuran
CID 166031069

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline?
The IUPAC name of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline (CID 134273527) is 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline.
What is the SMILES notation for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline?
The canonical SMILES for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline is c1cc(-c2ccc3sc4nc5ccccc5nc4c3c2)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.
What is the InChIKey of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline?
The InChIKey is YCNAWEWGWNSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2OS/c1-2-10-25-21(7-1)15-17-31-33(25)27-12-6-11-26(35(27)39-31)24-9-5-8-22(19-24)23-16-18-32-28(20-23)34-36(40-32)38-30-14-4-3-13-29(30)37-34/h1-20H.
What are the key properties of 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline?
2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline has a molecular weight of 528.64 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline is sourced from PubChem (CID 134273527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).