1,2,3,4-tetrachlorophenanthrene

C14H6Cl4 — CID 14849477

IUPAC1,2,3,4-tetrachlorophenanthrene
SMILESClc1c(Cl)c(Cl)c2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C14H6Cl4/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(18)13(11)17/h1-6H
InChIKeyQMXUORARMLOYOI-UHFFFAOYSA-N
MW316.01 g/mol
LogP6.61
Rot. Bonds

About 1,2,3,4-tetrachlorophenanthrene

1,2,3,4-tetrachlorophenanthrene (PubChem CID 14849477) has the molecular formula C14H6Cl4 and a molecular weight of 316.01 g/mol. Its IUPAC name is 1,2,3,4-tetrachlorophenanthrene.

Molecular Properties

Compound Name1,2,3,4-tetrachlorophenanthrene
PubChem CID14849477
Molecular FormulaC14H6Cl4
Molecular Weight316.01 g/mol
Exact Mass313.92
IUPAC Name1,2,3,4-tetrachlorophenanthrene
SMILESClc1c(Cl)c(Cl)c2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C14H6Cl4/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(18)13(11)17/h1-6H
InChIKeyQMXUORARMLOYOI-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachlorophenanthrene?
The IUPAC name of 1,2,3,4-tetrachlorophenanthrene (CID 14849477) is 1,2,3,4-tetrachlorophenanthrene.
What is the SMILES notation for 1,2,3,4-tetrachlorophenanthrene?
The canonical SMILES for 1,2,3,4-tetrachlorophenanthrene is Clc1c(Cl)c(Cl)c2c(ccc3ccccc32)c1Cl.
What is the InChIKey of 1,2,3,4-tetrachlorophenanthrene?
The InChIKey is QMXUORARMLOYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4/c15-11-9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(18)13(11)17/h1-6H.
What are the key properties of 1,2,3,4-tetrachlorophenanthrene?
1,2,3,4-tetrachlorophenanthrene 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 1,2,3,4-tetrachlorophenanthrene is sourced from PubChem (CID 14849477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).