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

C22H10F6N2S3 — CID 140597066

IUPAC(1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
SMILESFC(F)(F)c1ccc(/C=c2\s/c(=C\c3ccc(C(F)(F)F)s3)c3nc4ccccc4nc23)s1
InChIInChI=1S/C22H10F6N2S3/c23-21(24,25)17-7-5-11(31-17)9-15-19-20(30-14-4-2-1-3-13(14)29-19)16(33-15)10-12-6-8-18(32-12)22(26,27)28/h1-10H/b15-9-,16-10-
InChIKeyYFLHDNSEHPVRDI-VULZFCBJSA-N
MW512.53 g/mol
LogP6.66
Rot. Bonds2

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

(1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline (PubChem CID 140597066) has the molecular formula C22H10F6N2S3 and a molecular weight of 512.53 g/mol. Its IUPAC name is (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline.

Molecular Properties

Compound Name(1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
PubChem CID140597066
Molecular FormulaC22H10F6N2S3
Molecular Weight512.53 g/mol
Exact Mass511.99
IUPAC Name(1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
SMILESFC(F)(F)c1ccc(/C=c2\s/c(=C\c3ccc(C(F)(F)F)s3)c3nc4ccccc4nc23)s1
InChIInChI=1S/C22H10F6N2S3/c23-21(24,25)17-7-5-11(31-17)9-15-19-20(30-14-4-2-1-3-13(14)29-19)16(33-15)10-12-6-8-18(32-12)22(26,27)28/h1-10H/b15-9-,16-10-
InChIKeyYFLHDNSEHPVRDI-VULZFCBJSA-N
XLogP6.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.53
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-Propylthieno[3,2-b]quinoxaline
CID 91667539
2,3-DI-(2-Thienyl)quinoxaline
CID 4357317
Thieno[3,4-b]quinoxaline
CID 11137842
2,3-Bis(5-bromo2-thienyl)quinoxaline
CID 129880603
2,3-Bis(thiophen-3-yl)quinoxaline
CID 13016724
Thieno[2,3-b]quinoxaline
CID 13464836
5,6-Difluoro-2,3-dithiophen-2-ylquinoxaline
CID 69714345
6,7-Difluoro-2,3-dithiophen-2-ylquinoxaline
CID 69716625
1,3-Bis[[5-[4-(trifluoromethyl)phenyl]-2-thienyl]methylene]-1,3-dihydrothieno[3,4-b]quinoxaline
CID 88981244
(1Z,3Z)-1-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydrothiophen-2-yl]methylidene]-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
CID 89094691
(1Z,3Z)-1-[[5-(4-methylphenyl)thiophen-2-yl]methylidene]-3-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
CID 117968977
1,3-Bis[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline
CID 123515237

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The IUPAC name of (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline (CID 140597066) is (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline.
What is the SMILES notation for (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The canonical SMILES for (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline is FC(F)(F)c1ccc(/C=c2\s/c(=C\c3ccc(C(F)(F)F)s3)c3nc4ccccc4nc23)s1.
What is the InChIKey of (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
The InChIKey is YFLHDNSEHPVRDI-VULZFCBJSA-N. The full InChI is InChI=1S/C22H10F6N2S3/c23-21(24,25)17-7-5-11(31-17)9-15-19-20(30-14-4-2-1-3-13(14)29-19)16(33-15)10-12-6-8-18(32-12)22(26,27)28/h1-10H/b15-9-,16-10-.
What are the key properties of (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline?
(1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline has a molecular weight of 512.53 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1,3-bis[[5-(trifluoromethyl)thiophen-2-yl]methylidene]thieno[3,4-b]quinoxaline is sourced from PubChem (CID 140597066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).