5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline

C42H26N2S — CID 164998499

IUPAC5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3cccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C42H26N2S/c1-3-13-27(14-4-1)40-41(28-15-5-2-6-16-28)44-42-34(21-11-22-36(42)43-40)32-26-25-31(29-17-7-8-18-30(29)32)33-20-12-24-38-39(33)35-19-9-10-23-37(35)45-38/h1-26H
InChIKeyLRMAGNBCQDBJGM-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.82
Rot. Bonds4

About 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline

5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline (PubChem CID 164998499) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
PubChem CID164998499
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3cccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C42H26N2S/c1-3-13-27(14-4-1)40-41(28-15-5-2-6-16-28)44-42-34(21-11-22-36(42)43-40)32-26-25-31(29-17-7-8-18-30(29)32)33-20-12-24-38-39(33)35-19-9-10-23-37(35)45-38/h1-26H
InChIKeyLRMAGNBCQDBJGM-UHFFFAOYSA-N
XLogP11.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-dibenzothiophen-4-yl-2,3-diphenylquinoxaline
CID 147004668
4-phenyl-2-(23-thiahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)quinazoline
CID 164840614
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
5-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-2-phenylquinoxaline
CID 171724764
1-phenyldibenzothiophene;hydrobromide
CID 174679709
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline;5-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;6-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;7-dibenzothiophen-1-yl-5-(4-phenylphenyl)-1,6-naphthyridine;2-(4-dibenzothiophen-1-ylphenyl)-3-[3-(3-phenylphenyl)phenyl]quinoxaline
CID 167584479
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
3-naphtho[7,6-b][1]benzothiol-7-yl-2-phenylbenzo[f]quinoxaline
CID 155473714

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline?
The IUPAC name of 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline (CID 164998499) is 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline.
What is the SMILES notation for 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline?
The canonical SMILES for 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline is c1ccc(-c2nc3cccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline?
The InChIKey is LRMAGNBCQDBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-3-13-27(14-4-1)40-41(28-15-5-2-6-16-28)44-42-34(21-11-22-36(42)43-40)32-26-25-31(29-17-7-8-18-30(29)32)33-20-12-24-38-39(33)35-19-9-10-23-37(35)45-38/h1-26H.
What are the key properties of 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline?
5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline has a molecular weight of 590.75 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 164998499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).