1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene

C18Cl14 — CID 21421351

IUPAC1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene
SMILESClc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C18Cl14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24
InChIKeyAJXJXJFNFUNEKT-UHFFFAOYSA-N
MW712.54 g/mol
LogP14.17
Rot. Bonds2

About 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene

1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene (PubChem CID 21421351) has the molecular formula C18Cl14 and a molecular weight of 712.54 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene
PubChem CID21421351
Molecular FormulaC18Cl14
Molecular Weight712.54 g/mol
Exact Mass705.56
IUPAC Name1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene
SMILESClc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C18Cl14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24
InChIKeyAJXJXJFNFUNEKT-UHFFFAOYSA-N
XLogP14.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.54
LogP ≤ 514.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene (CID 21421351) is 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene is Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene?
The InChIKey is AJXJXJFNFUNEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18Cl14/c19-5-1(3-7(21)13(27)17(31)14(28)8(3)22)2(6(20)12(26)11(5)25)4-9(23)15(29)18(32)16(30)10(4)24.
What are the key properties of 1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene?
1,2,3,4,5-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene has a molecular weight of 712.54 g/mol, XLogP of 14.17, 2 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-pentachloro-6-[2,3,4,5-tetrachloro-6-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene is sourced from PubChem (CID 21421351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).