3,5-dichlorophenanthrene

C14H8Cl2 — CID 123462675

IUPAC3,5-dichlorophenanthrene
SMILESClc1ccc2ccc3cccc(Cl)c3c2c1
InChIInChI=1S/C14H8Cl2/c15-11-7-6-9-4-5-10-2-1-3-13(16)14(10)12(9)8-11/h1-8H
InChIKeyIUXZLQGAKUYUDL-UHFFFAOYSA-N
MW247.12 g/mol
LogP5.30
Rot. Bonds

About 3,5-dichlorophenanthrene

3,5-dichlorophenanthrene (PubChem CID 123462675) has the molecular formula C14H8Cl2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3,5-dichlorophenanthrene.

Molecular Properties

Compound Name3,5-dichlorophenanthrene
PubChem CID123462675
Molecular FormulaC14H8Cl2
Molecular Weight247.12 g/mol
Exact Mass246.00
IUPAC Name3,5-dichlorophenanthrene
SMILESClc1ccc2ccc3cccc(Cl)c3c2c1
InChIInChI=1S/C14H8Cl2/c15-11-7-6-9-4-5-10-2-1-3-13(16)14(10)12(9)8-11/h1-8H
InChIKeyIUXZLQGAKUYUDL-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.12
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorophenanthrene
CID 123290984
2-chlorobenzo[a]anthracene
CID 23367240
1-chloro-4-fluorobenzo[c]phenanthrene
CID 11108760
2,3,6-trichlorophenanthrene
CID 123278920
9-chloro-7,12-diethylbenzo[k]fluoranthene
CID 10860822
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588
9-chlorobenzo[e][1]benzofuran
CID 176753779
10-chloronaphtho[2,1-g][1,3]benzoxazole
CID 162517870
11-bromo-2-chloronaphtho[2,1-b][1]benzofuran
CID 176795836
19-chloro-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90267086
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
1-chloroperylene;perylene
CID 175592023

Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorophenanthrene?
The IUPAC name of 3,5-dichlorophenanthrene (CID 123462675) is 3,5-dichlorophenanthrene.
What is the SMILES notation for 3,5-dichlorophenanthrene?
The canonical SMILES for 3,5-dichlorophenanthrene is Clc1ccc2ccc3cccc(Cl)c3c2c1.
What is the InChIKey of 3,5-dichlorophenanthrene?
The InChIKey is IUXZLQGAKUYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2/c15-11-7-6-9-4-5-10-2-1-3-13(16)14(10)12(9)8-11/h1-8H.
What are the key properties of 3,5-dichlorophenanthrene?
3,5-dichlorophenanthrene has a molecular weight of 247.12 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorophenanthrene is sourced from PubChem (CID 123462675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).