anthracene;1,2,3,4-tetrachloronaphthalene

C24H14Cl4 — CID 174900064

IUPACanthracene;1,2,3,4-tetrachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2ccccc2c1Cl.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C10H4Cl4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-10H;1-4H
InChIKeyDFYVVGVPOIHSHX-UHFFFAOYSA-N
MW444.19 g/mol
LogP9.45
Rot. Bonds

About anthracene;1,2,3,4-tetrachloronaphthalene

anthracene;1,2,3,4-tetrachloronaphthalene (PubChem CID 174900064) has the molecular formula C24H14Cl4 and a molecular weight of 444.19 g/mol. Its IUPAC name is anthracene;1,2,3,4-tetrachloronaphthalene.

Molecular Properties

Compound Nameanthracene;1,2,3,4-tetrachloronaphthalene
PubChem CID174900064
Molecular FormulaC24H14Cl4
Molecular Weight444.19 g/mol
Exact Mass441.98
IUPAC Nameanthracene;1,2,3,4-tetrachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2ccccc2c1Cl.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C10H4Cl4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-10H;1-4H
InChIKeyDFYVVGVPOIHSHX-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.19
LogP ≤ 59.45
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 anthracene;1,2,3,4-tetrachloronaphthalene 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-tetrachloropentacene
CID 87495086
5,12-dichlorotetracene
CID 87498157
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
anthracene;naphthalene;phenanthrene
CID 158591187
CID 13203482
CID 13203482
1,4-dichloroanthracene
CID 3497125
sodium;anthracene;hydride
CID 173035649

Frequently Asked Questions

What is the IUPAC name of anthracene;1,2,3,4-tetrachloronaphthalene?
The IUPAC name of anthracene;1,2,3,4-tetrachloronaphthalene (CID 174900064) is anthracene;1,2,3,4-tetrachloronaphthalene.
What is the SMILES notation for anthracene;1,2,3,4-tetrachloronaphthalene?
The canonical SMILES for anthracene;1,2,3,4-tetrachloronaphthalene is Clc1c(Cl)c(Cl)c2ccccc2c1Cl.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1,2,3,4-tetrachloronaphthalene?
The InChIKey is DFYVVGVPOIHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C10H4Cl4/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-10H;1-4H.
What are the key properties of anthracene;1,2,3,4-tetrachloronaphthalene?
anthracene;1,2,3,4-tetrachloronaphthalene has a molecular weight of 444.19 g/mol, XLogP of 9.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1,2,3,4-tetrachloronaphthalene is sourced from PubChem (CID 174900064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).