2,6,9,10-tetra(nonoxy)anthracene

C50H82O4 — CID 139930263

IUPAC2,6,9,10-tetra(nonoxy)anthracene
SMILESCCCCCCCCCOc1ccc2c(OCCCCCCCCC)c3cc(OCCCCCCCCC)ccc3c(OCCCCCCCCC)c2c1
InChIInChI=1S/C50H82O4/c1-5-9-13-17-21-25-29-37-51-43-33-35-45-47(41-43)49(53-39-31-27-23-19-15-11-7-3)46-36-34-44(52-38-30-26-22-18-14-10-6-2)42-48(46)50(45)54-40-32-28-24-20-16-12-8-4/h33-36,41-42H,5-32,37-40H2,1-4H3
InChIKeyNQDJELIUICXDHG-UHFFFAOYSA-N
MW747.20 g/mol
LogP16.51
Rot. Bonds36

About 2,6,9,10-tetra(nonoxy)anthracene

2,6,9,10-tetra(nonoxy)anthracene (PubChem CID 139930263) has the molecular formula C50H82O4 and a molecular weight of 747.20 g/mol. Its IUPAC name is 2,6,9,10-tetra(nonoxy)anthracene.

Molecular Properties

Compound Name2,6,9,10-tetra(nonoxy)anthracene
PubChem CID139930263
Molecular FormulaC50H82O4
Molecular Weight747.20 g/mol
Exact Mass746.62
IUPAC Name2,6,9,10-tetra(nonoxy)anthracene
SMILESCCCCCCCCCOc1ccc2c(OCCCCCCCCC)c3cc(OCCCCCCCCC)ccc3c(OCCCCCCCCC)c2c1
InChIInChI=1S/C50H82O4/c1-5-9-13-17-21-25-29-37-51-43-33-35-45-47(41-43)49(53-39-31-27-23-19-15-11-7-3)46-36-34-44(52-38-30-26-22-18-14-10-6-2)42-48(46)50(45)54-40-32-28-24-20-16-12-8-4/h33-36,41-42H,5-32,37-40H2,1-4H3
InChIKeyNQDJELIUICXDHG-UHFFFAOYSA-N
XLogP16.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.20
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,6,9,10-tetra(nonoxy)anthracene with MolForge

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

Launch Full Analysis

Related Compounds

3,6,9,10-tetrabutoxyphenanthrene
CID 58825721
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
9,10-dioctoxyanthracene
CID 21304201
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
1,4-dipentoxybenzene
CID 18314717
2,8-dipentoxydibenzothiophene
CID 141427401
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
1,3-dihexadecoxybenzene
CID 12686834
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219

Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetra(nonoxy)anthracene?
The IUPAC name of 2,6,9,10-tetra(nonoxy)anthracene (CID 139930263) is 2,6,9,10-tetra(nonoxy)anthracene.
What is the SMILES notation for 2,6,9,10-tetra(nonoxy)anthracene?
The canonical SMILES for 2,6,9,10-tetra(nonoxy)anthracene is CCCCCCCCCOc1ccc2c(OCCCCCCCCC)c3cc(OCCCCCCCCC)ccc3c(OCCCCCCCCC)c2c1.
What is the InChIKey of 2,6,9,10-tetra(nonoxy)anthracene?
The InChIKey is NQDJELIUICXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H82O4/c1-5-9-13-17-21-25-29-37-51-43-33-35-45-47(41-43)49(53-39-31-27-23-19-15-11-7-3)46-36-34-44(52-38-30-26-22-18-14-10-6-2)42-48(46)50(45)54-40-32-28-24-20-16-12-8-4/h33-36,41-42H,5-32,37-40H2,1-4H3.
What are the key properties of 2,6,9,10-tetra(nonoxy)anthracene?
2,6,9,10-tetra(nonoxy)anthracene has a molecular weight of 747.20 g/mol, XLogP of 16.51, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetra(nonoxy)anthracene is sourced from PubChem (CID 139930263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).