(4-hexadecoxyphenyl)-(4-methylphenyl)diazene

C29H44N2O — CID 102454987

IUPAC(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C29H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-29-23-21-28(22-24-29)31-30-27-19-17-26(2)18-20-27/h17-24H,3-16,25H2,1-2H3/b31-30+
InChIKeyVTDKUYGJGXTVJP-NVQSTNCTSA-N
MW436.68 g/mol
LogP10.27
Rot. Bonds18

About (4-hexadecoxyphenyl)-(4-methylphenyl)diazene

(4-hexadecoxyphenyl)-(4-methylphenyl)diazene (PubChem CID 102454987) has the molecular formula C29H44N2O and a molecular weight of 436.68 g/mol. Its IUPAC name is (4-hexadecoxyphenyl)-(4-methylphenyl)diazene.

Molecular Properties

Compound Name(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
PubChem CID102454987
Molecular FormulaC29H44N2O
Molecular Weight436.68 g/mol
Exact Mass436.35
IUPAC Name(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
SMILESCCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C29H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-29-23-21-28(22-24-29)31-30-27-19-17-26(2)18-20-27/h17-24H,3-16,25H2,1-2H3/b31-30+
InChIKeyVTDKUYGJGXTVJP-NVQSTNCTSA-N
XLogP10.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
[4-[(4-methylphenyl)diazenyl]phenyl] 4-tetradecoxybenzoate
CID 15421400
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012
12-[4-[(4-methylphenyl)diazenyl]phenoxy]dodecane-1-thiol
CID 101369217
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958

Frequently Asked Questions

What is the IUPAC name of (4-hexadecoxyphenyl)-(4-methylphenyl)diazene?
The IUPAC name of (4-hexadecoxyphenyl)-(4-methylphenyl)diazene (CID 102454987) is (4-hexadecoxyphenyl)-(4-methylphenyl)diazene.
What is the SMILES notation for (4-hexadecoxyphenyl)-(4-methylphenyl)diazene?
The canonical SMILES for (4-hexadecoxyphenyl)-(4-methylphenyl)diazene is CCCCCCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of (4-hexadecoxyphenyl)-(4-methylphenyl)diazene?
The InChIKey is VTDKUYGJGXTVJP-NVQSTNCTSA-N. The full InChI is InChI=1S/C29H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-32-29-23-21-28(22-24-29)31-30-27-19-17-26(2)18-20-27/h17-24H,3-16,25H2,1-2H3/b31-30+.
What are the key properties of (4-hexadecoxyphenyl)-(4-methylphenyl)diazene?
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene has a molecular weight of 436.68 g/mol, XLogP of 10.27, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexadecoxyphenyl)-(4-methylphenyl)diazene is sourced from PubChem (CID 102454987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).