1,2,5,6-tetrachloroanthracene

C14H6Cl4 — CID 123825031

IUPAC1,2,5,6-tetrachloroanthracene
SMILESClc1ccc2cc3c(Cl)c(Cl)ccc3cc2c1Cl
InChIInChI=1S/C14H6Cl4/c15-11-3-1-7-5-10-8(6-9(7)13(11)17)2-4-12(16)14(10)18/h1-6H
InChIKeyKDESKANVMYVELW-UHFFFAOYSA-N
MW316.01 g/mol
LogP6.61
Rot. Bonds

About 1,2,5,6-tetrachloroanthracene

1,2,5,6-tetrachloroanthracene (PubChem CID 123825031) has the molecular formula C14H6Cl4 and a molecular weight of 316.01 g/mol. Its IUPAC name is 1,2,5,6-tetrachloroanthracene.

Molecular Properties

Compound Name1,2,5,6-tetrachloroanthracene
PubChem CID123825031
Molecular FormulaC14H6Cl4
Molecular Weight316.01 g/mol
Exact Mass313.92
IUPAC Name1,2,5,6-tetrachloroanthracene
SMILESClc1ccc2cc3c(Cl)c(Cl)ccc3cc2c1Cl
InChIInChI=1S/C14H6Cl4/c15-11-3-1-7-5-10-8(6-9(7)13(11)17)2-4-12(16)14(10)18/h1-6H
InChIKeyKDESKANVMYVELW-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.01
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,5,6-tetrachloroanthracene 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

1,2,10-trichloroanthracene
CID 123180958
tridecacyclo[24.20.2.02,25.04,45.07,44.09,42.010,39.012,37.015,36.017,34.018,31.020,29.023,28]octatetraconta-1(46),2(25),3,5,7,9,11,13,15,17,19,21,23,26,28,30,32,34,36,38,40,42,44,47-tetracosaene
CID 146014522
1,4-dichloroanthracene
CID 3497125
1,2-dichloro-6-(methylsulfanyloxymethyl)naphthalene
CID 166952071
1,2,4-trichloroanthracene
CID 123482034
2-chlorotetracen-1-amine
CID 175491990
8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol
CID 91434593
benzene;ruthenium;1,2,3,4-tetrachlorobenzene
CID 173000636
2,3,6-trichlorophenanthrene
CID 123278920
6,7-dichloro-2-methyl-1-benzofuran
CID 102472280
1-chlorohexacene
CID 87838951
2,7,8-trichloro-3-methylquinoline
CID 63232184

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrachloroanthracene?
The IUPAC name of 1,2,5,6-tetrachloroanthracene (CID 123825031) is 1,2,5,6-tetrachloroanthracene.
What is the SMILES notation for 1,2,5,6-tetrachloroanthracene?
The canonical SMILES for 1,2,5,6-tetrachloroanthracene is Clc1ccc2cc3c(Cl)c(Cl)ccc3cc2c1Cl.
What is the InChIKey of 1,2,5,6-tetrachloroanthracene?
The InChIKey is KDESKANVMYVELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4/c15-11-3-1-7-5-10-8(6-9(7)13(11)17)2-4-12(16)14(10)18/h1-6H.
What are the key properties of 1,2,5,6-tetrachloroanthracene?
1,2,5,6-tetrachloroanthracene has a molecular weight of 316.01 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrachloroanthracene is sourced from PubChem (CID 123825031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).