(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene

C25H25N3 — CID 171784027

IUPAC(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene
SMILESCCc1ccc(/N=N/c2c(-c3ccc(CC)cc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3/c1-4-18-10-14-20(15-11-18)25-24(22-8-6-7-9-23(22)28(25)3)27-26-21-16-12-19(5-2)13-17-21/h6-17H,4-5H2,1-3H3/b27-26+
InChIKeySICGLKYGSRKMDC-CYYJNZCTSA-N
MW367.50 g/mol
LogP7.39
Rot. Bonds5

About (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene

(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene (PubChem CID 171784027) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene.

Molecular Properties

Compound Name(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene
PubChem CID171784027
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene
SMILESCCc1ccc(/N=N/c2c(-c3ccc(CC)cc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3/c1-4-18-10-14-20(15-11-18)25-24(22-8-6-7-9-23(22)28(25)3)27-26-21-16-12-19(5-2)13-17-21/h6-17H,4-5H2,1-3H3/b27-26+
InChIKeySICGLKYGSRKMDC-CYYJNZCTSA-N
XLogP7.39
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene?
The IUPAC name of (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene (CID 171784027) is (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene.
What is the SMILES notation for (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene?
The canonical SMILES for (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene is CCc1ccc(/N=N/c2c(-c3ccc(CC)cc3)n(C)c3ccccc23)cc1.
What is the InChIKey of (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene?
The InChIKey is SICGLKYGSRKMDC-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H25N3/c1-4-18-10-14-20(15-11-18)25-24(22-8-6-7-9-23(22)28(25)3)27-26-21-16-12-19(5-2)13-17-21/h6-17H,4-5H2,1-3H3/b27-26+.
What are the key properties of (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene?
(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene has a molecular weight of 367.50 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene is sourced from PubChem (CID 171784027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).