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'}

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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).