bis(acenaphthyleno[1,2-b]quinoxaline);ethane

C42H38N4 — CID 90686847

IUPACbis(acenaphthyleno[1,2-b]quinoxaline);ethane
SMILESCC.CC.CC.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/2C18H10N2.3C2H6/c2*1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;3*1-2/h2*1-10H;3*1-2H3
InChIKeyBAUMBOYKFABRKE-UHFFFAOYSA-N
MW598.79 g/mol
LogP11.94
Rot. Bonds

About bis(acenaphthyleno[1,2-b]quinoxaline);ethane

bis(acenaphthyleno[1,2-b]quinoxaline);ethane (PubChem CID 90686847) has the molecular formula C42H38N4 and a molecular weight of 598.79 g/mol. Its IUPAC name is bis(acenaphthyleno[1,2-b]quinoxaline);ethane.

Molecular Properties

Compound Namebis(acenaphthyleno[1,2-b]quinoxaline);ethane
PubChem CID90686847
Molecular FormulaC42H38N4
Molecular Weight598.79 g/mol
Exact Mass598.31
IUPAC Namebis(acenaphthyleno[1,2-b]quinoxaline);ethane
SMILESCC.CC.CC.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/2C18H10N2.3C2H6/c2*1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;3*1-2/h2*1-10H;3*1-2H3
InChIKeyBAUMBOYKFABRKE-UHFFFAOYSA-N
XLogP11.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(acenaphthyleno[1,2-b]quinoxaline);ethane 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 bis(acenaphthyleno[1,2-b]quinoxaline);ethane?
The IUPAC name of bis(acenaphthyleno[1,2-b]quinoxaline);ethane (CID 90686847) is bis(acenaphthyleno[1,2-b]quinoxaline);ethane.
What is the SMILES notation for bis(acenaphthyleno[1,2-b]quinoxaline);ethane?
The canonical SMILES for bis(acenaphthyleno[1,2-b]quinoxaline);ethane is CC.CC.CC.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2.c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2.
What is the InChIKey of bis(acenaphthyleno[1,2-b]quinoxaline);ethane?
The InChIKey is BAUMBOYKFABRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H10N2.3C2H6/c2*1-2-10-15-14(9-1)19-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)20-15;3*1-2/h2*1-10H;3*1-2H3.
What are the key properties of bis(acenaphthyleno[1,2-b]quinoxaline);ethane?
bis(acenaphthyleno[1,2-b]quinoxaline);ethane has a molecular weight of 598.79 g/mol, XLogP of 11.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acenaphthyleno[1,2-b]quinoxaline);ethane is sourced from PubChem (CID 90686847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).