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

C36H14F4N4 — CID 59167611

IUPAC9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline
SMILESFc1ccc2c3c(ccc(F)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(F)c5c(F)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C36H14F4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H
InChIKeyQAVPSASYTOEGOE-UHFFFAOYSA-N
MW578.53 g/mol
LogP9.40
Rot. Bonds1

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

9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline (PubChem CID 59167611) has the molecular formula C36H14F4N4 and a molecular weight of 578.53 g/mol. Its IUPAC name is 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline
PubChem CID59167611
Molecular FormulaC36H14F4N4
Molecular Weight578.53 g/mol
Exact Mass578.12
IUPAC Name9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline
SMILESFc1ccc2c3c(ccc(F)c13)-c1nc3cc(-c4ccc5nc6c(nc5c4)-c4ccc(F)c5c(F)ccc-6c45)ccc3nc1-2
InChIInChI=1S/C36H14F4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H
InChIKeyQAVPSASYTOEGOE-UHFFFAOYSA-N
XLogP9.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.53
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline (CID 59167611) is 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline is Fc1ccc2c3c(ccc(F)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-difluoroacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is QAVPSASYTOEGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H14F4N4/c37-21-7-3-17-29-19(5-9-23(39)31(21)29)35-33(17)41-25-11-1-15(13-27(25)43-35)16-2-12-26-28(14-16)44-36-20-6-10-24(40)32-22(38)8-4-18(30(20)32)34(36)42-26/h1-14H.
What are the key properties of 9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline?
9-(3,4-difluoroacenaphthyleno[1,2-b]quinoxalin-9-yl)-3,4-difluoroacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 578.53 g/mol, XLogP of 9.40, 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-difluoroacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 59167611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).