2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline

C35H24N2S — CID 155277057

IUPAC2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline
SMILESC=Cc1cc(-c2cccc(-c3ccc4sc5nc6ccccc6nc5c4c3)c2)c2ccccc2c1/C=C\C
InChIInChI=1S/C35H24N2S/c1-3-10-26-22(4-2)20-29(28-14-6-5-13-27(26)28)25-12-9-11-23(19-25)24-17-18-33-30(21-24)34-35(38-33)37-32-16-8-7-15-31(32)36-34/h3-21H,2H2,1H3/b10-3-
InChIKeyFWFUDWDGEWHYBO-KMKOMSMNSA-N
MW504.66 g/mol
LogP10.16
Rot. Bonds4

About 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline

2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline (PubChem CID 155277057) has the molecular formula C35H24N2S and a molecular weight of 504.66 g/mol. Its IUPAC name is 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline
PubChem CID155277057
Molecular FormulaC35H24N2S
Molecular Weight504.66 g/mol
Exact Mass504.17
IUPAC Name2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline
SMILESC=Cc1cc(-c2cccc(-c3ccc4sc5nc6ccccc6nc5c4c3)c2)c2ccccc2c1/C=C\C
InChIInChI=1S/C35H24N2S/c1-3-10-26-22(4-2)20-29(28-14-6-5-13-27(26)28)25-12-9-11-23(19-25)24-17-18-33-30(21-24)34-35(38-33)37-32-16-8-7-15-31(32)36-34/h3-21H,2H2,1H3/b10-3-
InChIKeyFWFUDWDGEWHYBO-KMKOMSMNSA-N
XLogP10.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]quinoxaline
CID 134273564
2,8-bis(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273557
2,9-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzothiolo[2,3-b]quinoxaline
CID 134273556
2-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-[1]benzothiolo[3,2-b]quinoxaline
CID 134273527
9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]quinoxaline
CID 152932695
3-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]phenyl]-9-(3-phenanthren-9-ylphenyl)phenanthrene
CID 143808978
9-[4-[3-[4-[3,4-bis(ethenyl)naphthalen-1-yl]-2-methylphenyl]phenyl]-3-methylphenyl]phenanthrene
CID 143742640
2-bromo-3-phenyl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 163218510
2-(9,9-dimethylfluoren-2-yl)-3-phenyl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 163218384
8-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-c]cinnoline;15-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 160570984
4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene
CID 123178339
4-[3-[3,4-bis(ethenyl)naphthalen-1-yl]phenyl]-2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 144860255

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline?
The IUPAC name of 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline (CID 155277057) is 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline.
What is the SMILES notation for 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline?
The canonical SMILES for 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline is C=Cc1cc(-c2cccc(-c3ccc4sc5nc6ccccc6nc5c4c3)c2)c2ccccc2c1/C=C\C.
What is the InChIKey of 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline?
The InChIKey is FWFUDWDGEWHYBO-KMKOMSMNSA-N. The full InChI is InChI=1S/C35H24N2S/c1-3-10-26-22(4-2)20-29(28-14-6-5-13-27(26)28)25-12-9-11-23(19-25)24-17-18-33-30(21-24)34-35(38-33)37-32-16-8-7-15-31(32)36-34/h3-21H,2H2,1H3/b10-3-.
What are the key properties of 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline?
2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline has a molecular weight of 504.66 g/mol, XLogP of 10.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-ethenyl-4-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]-[1]benzothiolo[3,2-b]quinoxaline is sourced from PubChem (CID 155277057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).