2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline

C38H22N2OS — CID 134273443

IUPAC2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc3c2sc2ccc(-c4cccc(-c5ccc6oc7nc8ccccc8nc7c6c5)c4)cc23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-8-23(9-3-1)28-12-7-13-29-30-21-27(17-19-35(30)42-37(28)29)25-11-6-10-24(20-25)26-16-18-34-31(22-26)36-38(41-34)40-33-15-5-4-14-32(33)39-36/h1-22H
InChIKeyVYAFBOLCTQGTGE-UHFFFAOYSA-N
MW554.67 g/mol
LogP10.90
Rot. Bonds3

About 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline

2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273443) has the molecular formula C38H22N2OS and a molecular weight of 554.67 g/mol. Its IUPAC name is 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273443
Molecular FormulaC38H22N2OS
Molecular Weight554.67 g/mol
Exact Mass554.15
IUPAC Name2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2cccc3c2sc2ccc(-c4cccc(-c5ccc6oc7nc8ccccc8nc7c6c5)c4)cc23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-8-23(9-3-1)28-12-7-13-29-30-21-27(17-19-35(30)42-37(28)29)25-11-6-10-24(20-25)26-16-18-34-31(22-26)36-38(41-34)40-33-15-5-4-14-32(33)39-36/h1-22H
InChIKeyVYAFBOLCTQGTGE-UHFFFAOYSA-N
XLogP10.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273478
9-dibenzofuran-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273482
2-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzofuran-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-(3-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 158560598
2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline
CID 134273470
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
2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
2,8-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]pyrazine
CID 146600430
8-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600326
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline (CID 134273443) is 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline is c1ccc(-c2cccc3c2sc2ccc(-c4cccc(-c5ccc6oc7nc8ccccc8nc7c6c5)c4)cc23)cc1.
What is the InChIKey of 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is VYAFBOLCTQGTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2OS/c1-2-8-23(9-3-1)28-12-7-13-29-30-21-27(17-19-35(30)42-37(28)29)25-11-6-10-24(20-25)26-16-18-34-31(22-26)36-38(41-34)40-33-15-5-4-14-32(33)39-36/h1-22H.
What are the key properties of 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline?
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 554.67 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).