2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline

C41H28N2S — CID 164985271

IUPAC2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C41H28N2S/c1-41(2)32-13-5-3-10-29(32)30-23-22-27(24-33(30)41)40-39(42-34-14-6-7-15-35(34)43-40)26-20-18-25(19-21-26)28-12-9-17-37-38(28)31-11-4-8-16-36(31)44-37/h3-24H,1-2H3
InChIKeyYFADAMUEDQASHV-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.31
Rot. Bonds3

About 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline

2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline (PubChem CID 164985271) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
PubChem CID164985271
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC Name2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C41H28N2S/c1-41(2)32-13-5-3-10-29(32)30-23-22-27(24-33(30)41)40-39(42-34-14-6-7-15-35(34)43-40)26-20-18-25(19-21-26)28-12-9-17-37-38(28)31-11-4-8-16-36(31)44-37/h3-24H,1-2H3
InChIKeyYFADAMUEDQASHV-UHFFFAOYSA-N
XLogP11.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.76
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
11-(9,9-dimethylfluoren-2-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513495
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585757
14-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513055
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 158835789
6-[4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 163985838
6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129134319
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491338
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
2-(9,9-dimethylfluoren-2-yl)-3-phenyl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 163218384

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline?
The IUPAC name of 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline (CID 164985271) is 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline.
What is the SMILES notation for 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline?
The canonical SMILES for 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21.
What is the InChIKey of 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline?
The InChIKey is YFADAMUEDQASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-41(2)32-13-5-3-10-29(32)30-23-22-27(24-33(30)41)40-39(42-34-14-6-7-15-35(34)43-40)26-20-18-25(19-21-26)28-12-9-17-37-38(28)31-11-4-8-16-36(31)44-37/h3-24H,1-2H3.
What are the key properties of 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline?
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline has a molecular weight of 580.76 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline is sourced from PubChem (CID 164985271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).