2,3,6-trichlorophenanthrene

C14H7Cl3 — CID 123278920

IUPAC2,3,6-trichlorophenanthrene
SMILESClc1ccc2ccc3cc(Cl)c(Cl)cc3c2c1
InChIInChI=1S/C14H7Cl3/c15-10-4-3-8-1-2-9-5-13(16)14(17)7-12(9)11(8)6-10/h1-7H
InChIKeyHPXWFJQPLQYKIL-UHFFFAOYSA-N
MW281.57 g/mol
LogP5.95
Rot. Bonds

About 2,3,6-trichlorophenanthrene

2,3,6-trichlorophenanthrene (PubChem CID 123278920) has the molecular formula C14H7Cl3 and a molecular weight of 281.57 g/mol. Its IUPAC name is 2,3,6-trichlorophenanthrene.

Molecular Properties

Compound Name2,3,6-trichlorophenanthrene
PubChem CID123278920
Molecular FormulaC14H7Cl3
Molecular Weight281.57 g/mol
Exact Mass279.96
IUPAC Name2,3,6-trichlorophenanthrene
SMILESClc1ccc2ccc3cc(Cl)c(Cl)cc3c2c1
InChIInChI=1S/C14H7Cl3/c15-10-4-3-8-1-2-9-5-13(16)14(17)7-12(9)11(8)6-10/h1-7H
InChIKeyHPXWFJQPLQYKIL-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,3,6-trichlorophenanthrene 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

2,6-dichlorophenanthrene
CID 123290984
2-chlorobenzo[a]anthracene
CID 23367240
3,5-dichlorophenanthrene
CID 123462675
1,7-dichloro-3-(trifluoromethyl)naphthalene
CID 90487867
1,7-dichloro-3-methylisoquinoline
CID 21388033
7-chloro-1-fluoro-3-methylnaphthalene
CID 58839538
2-bromo-7-chloronaphthalen-1-ol
CID 82275045
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
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
methane;1,2,4-trichlorobenzene
CID 157397102
6,7-dichloronaphthalen-1-ol
CID 82254274
1-bromo-7-chloroisoquinoline
CID 70680391

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichlorophenanthrene?
The IUPAC name of 2,3,6-trichlorophenanthrene (CID 123278920) is 2,3,6-trichlorophenanthrene.
What is the SMILES notation for 2,3,6-trichlorophenanthrene?
The canonical SMILES for 2,3,6-trichlorophenanthrene is Clc1ccc2ccc3cc(Cl)c(Cl)cc3c2c1.
What is the InChIKey of 2,3,6-trichlorophenanthrene?
The InChIKey is HPXWFJQPLQYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3/c15-10-4-3-8-1-2-9-5-13(16)14(17)7-12(9)11(8)6-10/h1-7H.
What are the key properties of 2,3,6-trichlorophenanthrene?
2,3,6-trichlorophenanthrene has a molecular weight of 281.57 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichlorophenanthrene is sourced from PubChem (CID 123278920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).