1,8,9,10-tetra(tetradecoxy)anthracene

C70H122O4 — CID 139930109

IUPAC1,8,9,10-tetra(tetradecoxy)anthracene
SMILESCCCCCCCCCCCCCCOc1c2cccc(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)cccc12
InChIInChI=1S/C70H122O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-59-71-65-57-53-55-63-67(65)70(74-62-52-48-44-40-36-32-28-24-20-16-12-8-4)68-64(69(63)73-61-51-47-43-39-35-31-27-23-19-15-11-7-3)56-54-58-66(68)72-60-50-46-42-38-34-30-26-22-18-14-10-6-2/h53-58H,5-52,59-62H2,1-4H3
InChIKeyJKNWFBGGEHEZQC-UHFFFAOYSA-N
MW1027.74 g/mol
LogP24.31
Rot. Bonds56

About 1,8,9,10-tetra(tetradecoxy)anthracene

1,8,9,10-tetra(tetradecoxy)anthracene (PubChem CID 139930109) has the molecular formula C70H122O4 and a molecular weight of 1027.74 g/mol. Its IUPAC name is 1,8,9,10-tetra(tetradecoxy)anthracene.

Molecular Properties

Compound Name1,8,9,10-tetra(tetradecoxy)anthracene
PubChem CID139930109
Molecular FormulaC70H122O4
Molecular Weight1027.74 g/mol
Exact Mass1026.93
IUPAC Name1,8,9,10-tetra(tetradecoxy)anthracene
SMILESCCCCCCCCCCCCCCOc1c2cccc(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)cccc12
InChIInChI=1S/C70H122O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-59-71-65-57-53-55-63-67(65)70(74-62-52-48-44-40-36-32-28-24-20-16-12-8-4)68-64(69(63)73-61-51-47-43-39-35-31-27-23-19-15-11-7-3)56-54-58-66(68)72-60-50-46-42-38-34-30-26-22-18-14-10-6-2/h53-58H,5-52,59-62H2,1-4H3
InChIKeyJKNWFBGGEHEZQC-UHFFFAOYSA-N
XLogP24.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds56
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.74
LogP ≤ 524.31
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 1,8,9,10-tetra(tetradecoxy)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

1,8,9,10-tetra(pentadecoxy)anthracene
CID 139930238
1,5,9,10-tetra(tridecoxy)anthracene
CID 139930203
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
(10-acetyloxy-1,5-didecoxyanthracen-9-yl) acetate
CID 101463699
(10-acetyloxy-1,5-dioctoxyanthracen-9-yl) acetate
CID 101463698
9,10-dioctoxyanthracene
CID 21304201
1,4-didodecoxynaphthalene
CID 21304164
1-chloro-9,10-didodecoxyanthracene
CID 139930048
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
2,3-dipentoxyphenol
CID 57426098
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634

Frequently Asked Questions

What is the IUPAC name of 1,8,9,10-tetra(tetradecoxy)anthracene?
The IUPAC name of 1,8,9,10-tetra(tetradecoxy)anthracene (CID 139930109) is 1,8,9,10-tetra(tetradecoxy)anthracene.
What is the SMILES notation for 1,8,9,10-tetra(tetradecoxy)anthracene?
The canonical SMILES for 1,8,9,10-tetra(tetradecoxy)anthracene is CCCCCCCCCCCCCCOc1c2cccc(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)c2c(OCCCCCCCCCCCCCC)cccc12.
What is the InChIKey of 1,8,9,10-tetra(tetradecoxy)anthracene?
The InChIKey is JKNWFBGGEHEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H122O4/c1-5-9-13-17-21-25-29-33-37-41-45-49-59-71-65-57-53-55-63-67(65)70(74-62-52-48-44-40-36-32-28-24-20-16-12-8-4)68-64(69(63)73-61-51-47-43-39-35-31-27-23-19-15-11-7-3)56-54-58-66(68)72-60-50-46-42-38-34-30-26-22-18-14-10-6-2/h53-58H,5-52,59-62H2,1-4H3.
What are the key properties of 1,8,9,10-tetra(tetradecoxy)anthracene?
1,8,9,10-tetra(tetradecoxy)anthracene has a molecular weight of 1027.74 g/mol, XLogP of 24.31, 56 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9,10-tetra(tetradecoxy)anthracene is sourced from PubChem (CID 139930109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).