1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline

C34H18F6N2S3 — CID 123515237

IUPAC1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ccc(C=c3sc(=Cc4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nc5ccccc5nc34)s2)cc1
InChIInChI=1S/C34H18F6N2S3/c35-33(36,37)21-9-5-19(6-10-21)27-15-13-23(43-27)17-29-31-32(42-26-4-2-1-3-25(26)41-31)30(45-29)18-24-14-16-28(44-24)20-7-11-22(12-8-20)34(38,39)40/h1-18H
InChIKeyVLXZFDHAADKLFA-UHFFFAOYSA-N
MW664.72 g/mol
LogP10.00
Rot. Bonds4

About 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline

1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline (PubChem CID 123515237) has the molecular formula C34H18F6N2S3 and a molecular weight of 664.72 g/mol. Its IUPAC name is 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline.

Molecular Properties

Compound Name1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
PubChem CID123515237
Molecular FormulaC34H18F6N2S3
Molecular Weight664.72 g/mol
Exact Mass664.05
IUPAC Name1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
SMILESFC(F)(F)c1ccc(-c2ccc(C=c3sc(=Cc4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nc5ccccc5nc34)s2)cc1
InChIInChI=1S/C34H18F6N2S3/c35-33(36,37)21-9-5-19(6-10-21)27-15-13-23(43-27)17-29-31-32(42-26-4-2-1-3-25(26)41-31)30(45-29)18-24-14-16-28(44-24)20-7-11-22(12-8-20)34(38,39)40/h1-18H
InChIKeyVLXZFDHAADKLFA-UHFFFAOYSA-N
XLogP10.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.72
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline with MolForge

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Related Compounds

2-Phenylthieno[2,3-b]quinoxaline
CID 11777489
2-(3,5-Difluorophenyl)thieno[3,2-b]quinoxaline
CID 118712789
2-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(4-phenylquinolin-2-yl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-4-phenylquinoline
CID 11643489
2,3-Bis[5-(pyren-1-yl)thiophen-2-yl]-6,7-difluoroquinoxaline
CID 171905070
2-Phenyl-3-thiophen-2-ylquinoxaline
CID 828880
2,3-Bis(thiophen-3-yl)quinoxaline
CID 13016724
2,3-Diphenyl-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine
CID 58130832
5,8-Dithien-2-yl-2,3-diphenylquinoxaline
CID 58273761
2,3-Dimethyl-5,8-dithien-2-ylquinoxaline
CID 58500697
2-[6-[4-(Trifluoromethyl)phenyl]pyridin-2-yl]-5-[5-[5-[6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]-1,3,4-thiadiazol-2-yl]thiophen-2-yl]-1,3,4-thiadiazole
CID 57669006
2,3-Didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
CID 58090514
2-[5-[7-Fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline
CID 58299264

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The IUPAC name of 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline (CID 123515237) is 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline.
What is the SMILES notation for 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The canonical SMILES for 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline is FC(F)(F)c1ccc(-c2ccc(C=c3sc(=Cc4ccc(-c5ccc(C(F)(F)F)cc5)s4)c4nc5ccccc5nc34)s2)cc1.
What is the InChIKey of 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The InChIKey is VLXZFDHAADKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F6N2S3/c35-33(36,37)21-9-5-19(6-10-21)27-15-13-23(43-27)17-29-31-32(42-26-4-2-1-3-25(26)41-31)30(45-29)18-24-14-16-28(44-24)20-7-11-22(12-8-20)34(38,39)40/h1-18H.
What are the key properties of 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline has a molecular weight of 664.72 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline is sourced from PubChem (CID 123515237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).