4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride

C18H18Cl2N8-2 — CID 170924083

IUPAC4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
SMILESNc1ccc(/N=N/c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1.[Cl-].[Cl-]
InChIInChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H/p-2/b25-23+,26-24+;;
InChIKeyMCZVRBLCRZWFJH-SPBSJSFYSA-L
MW417.30 g/mol
LogP-1.15
Rot. Bonds4

About 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride

4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride (PubChem CID 170924083) has the molecular formula C18H18Cl2N8-2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride.

Molecular Properties

Compound Name4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
PubChem CID170924083
Molecular FormulaC18H18Cl2N8-2
Molecular Weight417.30 g/mol
Exact Mass416.10
IUPAC Name4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
SMILESNc1ccc(/N=N/c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1.[Cl-].[Cl-]
InChIInChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H/p-2/b25-23+,26-24+;;
InChIKeyMCZVRBLCRZWFJH-SPBSJSFYSA-L
XLogP-1.15
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride?
The IUPAC name of 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride (CID 170924083) is 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride.
What is the SMILES notation for 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride?
The canonical SMILES for 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride is Nc1ccc(/N=N/c2cccc(/N=N/c3ccc(N)cc3N)c2)c(N)c1.[Cl-].[Cl-].
What is the InChIKey of 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride?
The InChIKey is MCZVRBLCRZWFJH-SPBSJSFYSA-L. The full InChI is InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H/p-2/b25-23+,26-24+;;.
What are the key properties of 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride?
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride has a molecular weight of 417.30 g/mol, XLogP of -1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride is sourced from PubChem (CID 170924083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).