1,5,10,10-tetrachloro-9H-anthracene

C14H8Cl4 — CID 54217664

IUPAC1,5,10,10-tetrachloro-9H-anthracene
SMILESClc1cccc2c1Cc1cccc(Cl)c1C2(Cl)Cl
InChIInChI=1S/C14H8Cl4/c15-11-5-2-4-10-9(11)7-8-3-1-6-12(16)13(8)14(10,17)18/h1-6H,7H2
InChIKeyHTVKROJCJHVKRV-UHFFFAOYSA-N
MW318.03 g/mol
LogP5.58
Rot. Bonds

About 1,5,10,10-tetrachloro-9H-anthracene

1,5,10,10-tetrachloro-9H-anthracene (PubChem CID 54217664) has the molecular formula C14H8Cl4 and a molecular weight of 318.03 g/mol. Its IUPAC name is 1,5,10,10-tetrachloro-9H-anthracene.

Molecular Properties

Compound Name1,5,10,10-tetrachloro-9H-anthracene
PubChem CID54217664
Molecular FormulaC14H8Cl4
Molecular Weight318.03 g/mol
Exact Mass315.94
IUPAC Name1,5,10,10-tetrachloro-9H-anthracene
SMILESClc1cccc2c1Cc1cccc(Cl)c1C2(Cl)Cl
InChIInChI=1S/C14H8Cl4/c15-11-5-2-4-10-9(11)7-8-3-1-6-12(16)13(8)14(10,17)18/h1-6H,7H2
InChIKeyHTVKROJCJHVKRV-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.03
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,10,10-tetrachloro-9H-anthracene?
The IUPAC name of 1,5,10,10-tetrachloro-9H-anthracene (CID 54217664) is 1,5,10,10-tetrachloro-9H-anthracene.
What is the SMILES notation for 1,5,10,10-tetrachloro-9H-anthracene?
The canonical SMILES for 1,5,10,10-tetrachloro-9H-anthracene is Clc1cccc2c1Cc1cccc(Cl)c1C2(Cl)Cl.
What is the InChIKey of 1,5,10,10-tetrachloro-9H-anthracene?
The InChIKey is HTVKROJCJHVKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4/c15-11-5-2-4-10-9(11)7-8-3-1-6-12(16)13(8)14(10,17)18/h1-6H,7H2.
What are the key properties of 1,5,10,10-tetrachloro-9H-anthracene?
1,5,10,10-tetrachloro-9H-anthracene has a molecular weight of 318.03 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,10,10-tetrachloro-9H-anthracene is sourced from PubChem (CID 54217664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).