1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one

C25H26N4O — CID 159970990

IUPAC1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H26N4O/c1-3-4-5-20-6-10-22(11-7-20)26-28-24-14-16-25(17-15-24)29-27-23-12-8-21(9-13-23)18-19(2)30/h6-17H,3-5,18H2,1-2H3/b28-26+,29-27+
InChIKeyIBDLPZDMAGDNQB-TUUFZWAFSA-N
MW398.51 g/mol
LogP7.99
Rot. Bonds9

About 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one

1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one (PubChem CID 159970990) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
PubChem CID159970990
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C25H26N4O/c1-3-4-5-20-6-10-22(11-7-20)26-28-24-14-16-25(17-15-24)29-27-23-12-8-21(9-13-23)18-19(2)30/h6-17H,3-5,18H2,1-2H3/b28-26+,29-27+
InChIKeyIBDLPZDMAGDNQB-TUUFZWAFSA-N
XLogP7.99
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[4-[(4-butylphenyl)diazenyl]phenyl]acetyl]phenyl]propan-2-one
CID 157420533
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-[4-[[4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 157078142
1-(4-propylphenyl)propan-2-one
CID 82490574
bis(4-decylphenyl)diazene
CID 71359462
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
4-[(4-dodecylphenyl)diazenyl]phenol
CID 135625479
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
5,11,17,23-tetrakis[(4-butylphenyl)diazenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 136679491
methyl 2-(4-butylphenyl)acetate
CID 10442975
sodium 2-(4-tridecylphenyl)acetate
CID 23717024

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one (CID 159970990) is 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one is CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
The InChIKey is IBDLPZDMAGDNQB-TUUFZWAFSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-4-5-20-6-10-22(11-7-20)26-28-24-14-16-25(17-15-24)29-27-23-12-8-21(9-13-23)18-19(2)30/h6-17H,3-5,18H2,1-2H3/b28-26+,29-27+.
What are the key properties of 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one?
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one has a molecular weight of 398.51 g/mol, XLogP of 7.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one is sourced from PubChem (CID 159970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).