3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline

C24H8Cl16N4 — CID 19354140

IUPAC3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline
SMILESNc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(N)c(Cl)c2Cl)c(Cl)c1Cl.Nc1c(Cl)c(Cl)c(-c2c(Cl)c(N)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/2C12H4Cl8N2/c13-3-2(6(16)11(21)10(20)7(3)17)1-4(14)8(18)12(22)9(19)5(1)15;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h2*21-22H2
InChIKeyJONNKRWIGFUXHG-UHFFFAOYSA-N
MW919.60 g/mol
LogP15.49
Rot. Bonds2

About 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline

3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline (PubChem CID 19354140) has the molecular formula C24H8Cl16N4 and a molecular weight of 919.60 g/mol. Its IUPAC name is 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline.

Molecular Properties

Compound Name3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline
PubChem CID19354140
Molecular FormulaC24H8Cl16N4
Molecular Weight919.60 g/mol
Exact Mass911.58
IUPAC Name3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline
SMILESNc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(N)c(Cl)c2Cl)c(Cl)c1Cl.Nc1c(Cl)c(Cl)c(-c2c(Cl)c(N)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/2C12H4Cl8N2/c13-3-2(6(16)11(21)10(20)7(3)17)1-4(14)8(18)12(22)9(19)5(1)15;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h2*21-22H2
InChIKeyJONNKRWIGFUXHG-UHFFFAOYSA-N
XLogP15.49
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.60
LogP ≤ 515.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline with MolForge

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Related Compounds

1,2,3,4,5-pentachloro-6-[2,3,4,6-tetrachloro-5-(2,3,4,5,6-pentachlorophenyl)phenyl]benzene
CID 6451882
2,3,4,6,7,8-hexachloronaphthalene-1,5-diamine
CID 139971429
1,3,4,5,6,8-hexachloronaphthalene-2,7-diamine
CID 139971450
formaldehyde;bis(1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene)
CID 175554387
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
4-amino-2,3,5,6-tetrachlorobenzoic acid
CID 71436555
(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine
CID 6052606
2,3,4,5-tetrakis(2,3,4,5,6-pentachlorophenyl)thiophene
CID 134617394
2,3,4-trichloro-5-(2,3,4,5,6-pentachlorophenyl)aniline
CID 140995963
bis(1,2,3,4,5,6-hexachlorobenzene);hydrate
CID 174447224
1,2,3,4,5,6-hexachlorobenzene;λ2-plumbane
CID 174727181
4-(4-amino-2,3-dichlorophenyl)-5,6-dichlorobenzene-1,2,3-triamine
CID 54009491

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline?
The IUPAC name of 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline (CID 19354140) is 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline.
What is the SMILES notation for 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline?
The canonical SMILES for 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline is Nc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(N)c(Cl)c2Cl)c(Cl)c1Cl.Nc1c(Cl)c(Cl)c(-c2c(Cl)c(N)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline?
The InChIKey is JONNKRWIGFUXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H4Cl8N2/c13-3-2(6(16)11(21)10(20)7(3)17)1-4(14)8(18)12(22)9(19)5(1)15;13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h2*21-22H2.
What are the key properties of 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline?
3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline has a molecular weight of 919.60 g/mol, XLogP of 15.49, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,3,5,6-tetrachlorophenyl)-2,4,5,6-tetrachloroaniline;4-(4-amino-2,3,5,6-tetrachlorophenyl)-2,3,5,6-tetrachloroaniline is sourced from PubChem (CID 19354140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).