9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline

C38H20F2N4 — CID 143424222

IUPAC9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline
SMILESCc1ccc2c3c(ccc(C)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(F)c5c(F)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C38H20F2N4/c1-17-3-7-21-32-22(8-4-18(2)31(17)32)37-35(21)41-27-13-5-19(15-29(27)43-37)20-6-14-28-30(16-20)44-38-24-10-12-26(40)34-25(39)11-9-23(33(24)34)36(38)42-28/h3-16H,1-2H3
InChIKeyXAZBYOBNNLICJI-UHFFFAOYSA-N
MW570.60 g/mol
LogP9.74
Rot. Bonds1

About 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline

9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline (PubChem CID 143424222) has the molecular formula C38H20F2N4 and a molecular weight of 570.60 g/mol. Its IUPAC name is 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline
PubChem CID143424222
Molecular FormulaC38H20F2N4
Molecular Weight570.60 g/mol
Exact Mass570.17
IUPAC Name9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline
SMILESCc1ccc2c3c(ccc(C)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(F)c5c(F)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C38H20F2N4/c1-17-3-7-21-32-22(8-4-18(2)31(17)32)37-35(21)41-27-13-5-19(15-29(27)43-37)20-6-14-28-30(16-20)44-38-24-10-12-26(40)34-25(39)11-9-23(33(24)34)36(38)42-28/h3-16H,1-2H3
InChIKeyXAZBYOBNNLICJI-UHFFFAOYSA-N
XLogP9.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.60
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline (CID 143424222) is 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline is Cc1ccc2c3c(ccc(C)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(F)c5c(F)ccc-6c45)ccc3nc1-2.
What is the InChIKey of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is XAZBYOBNNLICJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F2N4/c1-17-3-7-21-32-22(8-4-18(2)31(17)32)37-35(21)41-27-13-5-19(15-29(27)43-37)20-6-14-28-30(16-20)44-38-24-10-12-26(40)34-25(39)11-9-23(33(24)34)36(38)42-28/h3-16H,1-2H3.
What are the key properties of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline?
9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 570.60 g/mol, XLogP of 9.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-dimethylacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 143424222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).