1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol

C67H65N11O6 — CID 159467447

IUPAC1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.CC(=O)Cc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1.Oc1ccccc1
InChIInChI=1S/C25H26N4O2.C21H18N4O2.C15H15N3O.C6H6O/c1-3-4-17-31-25-15-13-24(14-16-25)29-28-23-11-9-22(10-12-23)27-26-21-7-5-20(6-8-21)18-19(2)30;1-15(26)14-16-2-4-17(5-3-16)22-23-18-6-8-19(9-7-18)24-25-20-10-12-21(27)13-11-20;1-11(19)10-12-2-6-14(7-3-12)17-18-15-8-4-13(16)5-9-15;7-6-4-2-1-3-5-6/h5-16H,3-4,17-18H2,1-2H3;2-13,27H,14H2,1H3;2-9H,10,16H2,1H3;1-5,7H/b27-26+,29-28+;23-22+,25-24+;18-17+;
InChIKeyLVJGWXYOOJGUQM-BHOVUDKSSA-N
MW1120.33 g/mol
LogP19.39
Rot. Bonds20

About 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol

1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol (PubChem CID 159467447) has the molecular formula C67H65N11O6 and a molecular weight of 1120.33 g/mol. Its IUPAC name is 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol.

Molecular Properties

Compound Name1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol
PubChem CID159467447
Molecular FormulaC67H65N11O6
Molecular Weight1120.33 g/mol
Exact Mass1119.51
IUPAC Name1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol
SMILESCC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.CC(=O)Cc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1.Oc1ccccc1
InChIInChI=1S/C25H26N4O2.C21H18N4O2.C15H15N3O.C6H6O/c1-3-4-17-31-25-15-13-24(14-16-25)29-28-23-11-9-22(10-12-23)27-26-21-7-5-20(6-8-21)18-19(2)30;1-15(26)14-16-2-4-17(5-3-16)22-23-18-6-8-19(9-7-18)24-25-20-10-12-21(27)13-11-20;1-11(19)10-12-2-6-14(7-3-12)17-18-15-8-4-13(16)5-9-15;7-6-4-2-1-3-5-6/h5-16H,3-4,17-18H2,1-2H3;2-13,27H,14H2,1H3;2-9H,10,16H2,1H3;1-5,7H/b27-26+,29-28+;23-22+,25-24+;18-17+;
InChIKeyLVJGWXYOOJGUQM-BHOVUDKSSA-N
XLogP19.39
TPSA250.52 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.33
LogP ≤ 519.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol with MolForge

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Related Compounds

4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
1,4-dibutoxybenzene;phenol
CID 174756360
4-(4-butoxyphenyl)phenol;[4-[[4-(3-methyl-2-oxobut-3-enyl)phenyl]diazenyl]phenyl] 2-methylprop-2-enoate
CID 157407746
1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
3-[4-[(4-butoxyphenyl)diazenyl]phenoxy]propanoic acid
CID 177145662
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
acetic acid;butoxybenzene
CID 162338086
3-methyloctan-2-one;1-(4-phenylmethoxyphenyl)propan-2-one
CID 142081046
ethyl 2-[4-(2-oxopropyl)phenoxy]acetate;1-(4-hydroxyphenyl)propan-2-one
CID 159239031

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol?
The IUPAC name of 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol (CID 159467447) is 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol.
What is the SMILES notation for 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol?
The canonical SMILES for 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol is CC(=O)Cc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.CC(=O)Cc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(CC(C)=O)cc3)cc2)cc1.Oc1ccccc1.
What is the InChIKey of 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol?
The InChIKey is LVJGWXYOOJGUQM-BHOVUDKSSA-N. The full InChI is InChI=1S/C25H26N4O2.C21H18N4O2.C15H15N3O.C6H6O/c1-3-4-17-31-25-15-13-24(14-16-25)29-28-23-11-9-22(10-12-23)27-26-21-7-5-20(6-8-21)18-19(2)30;1-15(26)14-16-2-4-17(5-3-16)22-23-18-6-8-19(9-7-18)24-25-20-10-12-21(27)13-11-20;1-11(19)10-12-2-6-14(7-3-12)17-18-15-8-4-13(16)5-9-15;7-6-4-2-1-3-5-6/h5-16H,3-4,17-18H2,1-2H3;2-13,27H,14H2,1H3;2-9H,10,16H2,1H3;1-5,7H/b27-26+,29-28+;23-22+,25-24+;18-17+;.
What are the key properties of 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol?
1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol has a molecular weight of 1120.33 g/mol, XLogP of 19.39, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminophenyl)diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-butoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;1-[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one;phenol is sourced from PubChem (CID 159467447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).