[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene

C21H16Cl2N2 — CID 4521711

IUPAC[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc(C=Cc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2/c1-15-2-10-19(11-3-15)24-25-20-12-5-16(6-13-20)4-7-17-8-9-18(22)14-21(17)23/h2-14H,1H3/b7-4?,25-24+
InChIKeyFFCKXFXXKWCJPR-UQOKRGJWSA-N
MW367.28 g/mol
LogP7.89
Rot. Bonds4

About [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene

[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene (PubChem CID 4521711) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene.

Molecular Properties

Compound Name[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene
PubChem CID4521711
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2ccc(C=Cc3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2/c1-15-2-10-19(11-3-15)24-25-20-12-5-16(6-13-20)4-7-17-8-9-18(22)14-21(17)23/h2-14H,1H3/b7-4?,25-24+
InChIKeyFFCKXFXXKWCJPR-UQOKRGJWSA-N
XLogP7.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene?
The IUPAC name of [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene (CID 4521711) is [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene.
What is the SMILES notation for [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene?
The canonical SMILES for [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene is Cc1ccc(/N=N/c2ccc(C=Cc3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene?
The InChIKey is FFCKXFXXKWCJPR-UQOKRGJWSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c1-15-2-10-19(11-3-15)24-25-20-12-5-16(6-13-20)4-7-17-8-9-18(22)14-21(17)23/h2-14H,1H3/b7-4?,25-24+.
What are the key properties of [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene?
[4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene has a molecular weight of 367.28 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dichlorophenyl)ethenyl]phenyl]-(4-methylphenyl)diazene is sourced from PubChem (CID 4521711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).