1,2,3,4,5,6,7,9,10-nonachloroanthracene

C14HCl9 — CID 90685871

IUPAC1,2,3,4,5,6,7,9,10-nonachloroanthracene
SMILESClc1cc2c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c2c(Cl)c1Cl
InChIInChI=1S/C14HCl9/c15-3-1-2-4(10(19)8(3)17)9(18)6-5(7(2)16)11(20)13(22)14(23)12(6)21/h1H
InChIKeyCNNKPGQCZQTDIX-UHFFFAOYSA-N
MW488.24 g/mol
LogP9.87
Rot. Bonds

About 1,2,3,4,5,6,7,9,10-nonachloroanthracene

1,2,3,4,5,6,7,9,10-nonachloroanthracene (PubChem CID 90685871) has the molecular formula C14HCl9 and a molecular weight of 488.24 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,9,10-nonachloroanthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,9,10-nonachloroanthracene
PubChem CID90685871
Molecular FormulaC14HCl9
Molecular Weight488.24 g/mol
Exact Mass483.73
IUPAC Name1,2,3,4,5,6,7,9,10-nonachloroanthracene
SMILESClc1cc2c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c2c(Cl)c1Cl
InChIInChI=1S/C14HCl9/c15-3-1-2-4(10(19)8(3)17)9(18)6-5(7(2)16)11(20)13(22)14(23)12(6)21/h1H
InChIKeyCNNKPGQCZQTDIX-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.24
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,2,3,4,5,6,7,9,10-nonachloroanthracene 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

1,2,3,4,6,7,8-heptachlorodibenzofuran
CID 146020036
1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenoxy)benzene
CID 14935807
1,2,3,4-tetrachloro-5-methoxybenzene
CID 13649
1,2,3,4-tetrachloro-5-iodobenzene
CID 2802859
1,2,3,4,7,8-hexachlorodibenzofuran
CID 146020035
1,2,3,4,5,6,7-heptachlorobiphenylene
CID 101459964
sodium 2,3,4,5-tetrachlorophenolate
CID 23677949
formic acid;1,2,3,4,5-pentachlorobenzene
CID 159674578
2,3,4,5,6-pentachlorophenol;2,3,4,6-tetrachlorophenol
CID 158166722
1,3,5,6,7-pentachloroisoquinoline
CID 166610359
2,3,4,5,6,7-hexachloro-1-methylpyrene
CID 150804409

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,9,10-nonachloroanthracene?
The IUPAC name of 1,2,3,4,5,6,7,9,10-nonachloroanthracene (CID 90685871) is 1,2,3,4,5,6,7,9,10-nonachloroanthracene.
What is the SMILES notation for 1,2,3,4,5,6,7,9,10-nonachloroanthracene?
The canonical SMILES for 1,2,3,4,5,6,7,9,10-nonachloroanthracene is Clc1cc2c(Cl)c3c(Cl)c(Cl)c(Cl)c(Cl)c3c(Cl)c2c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5,6,7,9,10-nonachloroanthracene?
The InChIKey is CNNKPGQCZQTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14HCl9/c15-3-1-2-4(10(19)8(3)17)9(18)6-5(7(2)16)11(20)13(22)14(23)12(6)21/h1H.
What are the key properties of 1,2,3,4,5,6,7,9,10-nonachloroanthracene?
1,2,3,4,5,6,7,9,10-nonachloroanthracene has a molecular weight of 488.24 g/mol, XLogP of 9.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,9,10-nonachloroanthracene is sourced from PubChem (CID 90685871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).