8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine

C118H68N6O3S3 — CID 157245814

IUPAC8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cc6ccccc6c6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5ccc6ccccc6c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5cccc6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C42H24N2OS.2C38H22N2OS/c1-2-12-29-28(9-1)23-35(32-14-4-3-13-31(29)32)37-24-43-42-40(44-37)36-22-26(19-20-38(36)45-42)25-10-7-11-27(21-25)30-16-8-17-34-33-15-5-6-18-39(33)46-41(30)34;1-2-12-27-23(8-1)9-6-15-29(27)33-22-39-38-36(40-33)32-21-25(18-19-34(32)41-38)24-10-5-11-26(20-24)28-14-7-16-31-30-13-3-4-17-35(30)42-37(28)31;1-2-8-24-20-28(16-15-23(24)7-1)33-22-39-38-36(40-33)32-21-26(17-18-34(32)41-38)25-9-5-10-27(19-25)29-12-6-13-31-30-11-3-4-14-35(30)42-37(29)31/h1-24H;2*1-22H
InChIKeyAVTCSHXWCMEJEW-UHFFFAOYSA-N
MW1714.08 g/mol
LogP33.85
Rot. Bonds9

About 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine

8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 157245814) has the molecular formula C118H68N6O3S3 and a molecular weight of 1714.08 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID157245814
Molecular FormulaC118H68N6O3S3
Molecular Weight1714.08 g/mol
Exact Mass1712.45
IUPAC Name8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cc6ccccc6c6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5ccc6ccccc6c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5cccc6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C42H24N2OS.2C38H22N2OS/c1-2-12-29-28(9-1)23-35(32-14-4-3-13-31(29)32)37-24-43-42-40(44-37)36-22-26(19-20-38(36)45-42)25-10-7-11-27(21-25)30-16-8-17-34-33-15-5-6-18-39(33)46-41(30)34;1-2-12-27-23(8-1)9-6-15-29(27)33-22-39-38-36(40-33)32-21-25(18-19-34(32)41-38)24-10-5-11-26(20-24)28-14-7-16-31-30-13-3-4-17-35(30)42-37(28)31;1-2-8-24-20-28(16-15-23(24)7-1)33-22-39-38-36(40-33)32-21-26(17-18-34(32)41-38)25-9-5-10-27(19-25)29-12-6-13-31-30-11-3-4-14-35(30)42-37(29)31/h1-24H;2*1-22H
InChIKeyAVTCSHXWCMEJEW-UHFFFAOYSA-N
XLogP33.85
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.08
LogP ≤ 533.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine with MolForge

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Related Compounds

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
15-[3-(3-naphtho[2,1-b][1]benzothiol-6-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456760
9-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 146600250
2-(3-dibenzothiophen-4-ylphenyl)-8-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2-(3-dibenzothiophen-4-ylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157363541
3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(7-dibenzothiophen-4-ylnaphthalen-2-yl)phenanthro[9,10-b]pyrazine;3-(3-dibenzothiophen-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 160715656
2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 155396498
17-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-21-oxa-16,19-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 137456893
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2,9-bis(3-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2-dibenzofuran-4-yl-9-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;9-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzofuran-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzothiophen-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2-(3-naphthalen-1-ylphenyl)-9-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;10-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 159783478
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-6-phenanthren-9-yl-2-phenylpyrimidine
CID 171583781
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

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine (CID 157245814) is 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine is c1cc(-c2ccc3oc4ncc(-c5cc6ccccc6c6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5ccc6ccccc6c5)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3oc4ncc(-c5cccc6ccccc56)nc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is AVTCSHXWCMEJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2OS.2C38H22N2OS/c1-2-12-29-28(9-1)23-35(32-14-4-3-13-31(29)32)37-24-43-42-40(44-37)36-22-26(19-20-38(36)45-42)25-10-7-11-27(21-25)30-16-8-17-34-33-15-5-6-18-39(33)46-41(30)34;1-2-12-27-23(8-1)9-6-15-29(27)33-22-39-38-36(40-33)32-21-25(18-19-34(32)41-38)24-10-5-11-26(20-24)28-14-7-16-31-30-13-3-4-17-35(30)42-37(28)31;1-2-8-24-20-28(16-15-23(24)7-1)33-22-39-38-36(40-33)32-21-26(17-18-34(32)41-38)25-9-5-10-27(19-25)29-12-6-13-31-30-11-3-4-14-35(30)42-37(29)31/h1-24H;2*1-22H.
What are the key properties of 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine?
8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 1714.08 g/mol, XLogP of 33.85, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine;8-(3-dibenzothiophen-4-ylphenyl)-2-phenanthren-9-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 157245814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).