2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline

C38H22N2OS — CID 134273470

IUPAC2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2c(-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc3oc4nc5ccccc5nc4c23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)34-26(20-21-32-35(34)36-38(41-32)40-31-18-6-5-17-30(31)39-36)24-12-8-13-25(22-24)27-15-9-16-29-28-14-4-7-19-33(28)42-37(27)29/h1-22H
InChIKeyPZICGXGBKJTFIC-UHFFFAOYSA-N
MW554.67 g/mol
LogP10.90
Rot. Bonds3

About 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline

2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273470) has the molecular formula C38H22N2OS and a molecular weight of 554.67 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273470
Molecular FormulaC38H22N2OS
Molecular Weight554.67 g/mol
Exact Mass554.15
IUPAC Name2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2c(-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc3oc4nc5ccccc5nc4c23)cc1
InChIInChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)34-26(20-21-32-35(34)36-38(41-32)40-31-18-6-5-17-30(31)39-36)24-12-8-13-25(22-24)27-15-9-16-29-28-14-4-7-19-33(28)42-37(27)29/h1-22H
InChIKeyPZICGXGBKJTFIC-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

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
2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
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
9-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600250
8-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600326
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147763486
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine
CID 164964254
2,8-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]pyrazine
CID 146600430
5-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline
CID 163511338
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline (CID 134273470) is 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline is c1ccc(-c2c(-c3cccc(-c4cccc5c4sc4ccccc45)c3)ccc3oc4nc5ccccc5nc4c23)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is PZICGXGBKJTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2OS/c1-2-10-23(11-3-1)34-26(20-21-32-35(34)36-38(41-32)40-31-18-6-5-17-30(31)39-36)24-12-8-13-25(22-24)27-15-9-16-29-28-14-4-7-19-33(28)42-37(27)29/h1-22H.
What are the key properties of 2-(3-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline?
2-(3-dibenzothiophen-4-ylphenyl)-1-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-dibenzothiophen-4-ylphenyl)-1-phenyl-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).