formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)

C25H2Cl20O — CID 175554387

IUPACformaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)
SMILESC=O.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/2C12Cl10.CH2O/c2*13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2/h;;1H2
InChIKeyHTZWTICXCPNZDV-UHFFFAOYSA-N
MW1027.35 g/mol
LogP19.59
Rot. Bonds2

About formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)

formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene) (PubChem CID 175554387) has the molecular formula C25H2Cl20O and a molecular weight of 1027.35 g/mol. Its IUPAC name is formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene).

Molecular Properties

Compound Nameformaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)
PubChem CID175554387
Molecular FormulaC25H2Cl20O
Molecular Weight1027.35 g/mol
Exact Mass1017.39
IUPAC Nameformaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)
SMILESC=O.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/2C12Cl10.CH2O/c2*13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2/h;;1H2
InChIKeyHTZWTICXCPNZDV-UHFFFAOYSA-N
XLogP19.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.35
LogP ≤ 519.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)?
The IUPAC name of formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene) (CID 175554387) is formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene).
What is the SMILES notation for formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)?
The canonical SMILES for formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene) is C=O.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)?
The InChIKey is HTZWTICXCPNZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12Cl10.CH2O/c2*13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;1-2/h;;1H2.
What are the key properties of formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)?
formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene) has a molecular weight of 1027.35 g/mol, XLogP of 19.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene) is sourced from PubChem (CID 175554387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).