(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene

C34H38N4O2 — CID 101048956

IUPAC(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
SMILESCCc1ccc(/N=N/c2ccc(OCCCCCCOc3ccc(/N=N/c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H38N4O2/c1-3-27-9-13-29(14-10-27)35-37-31-17-21-33(22-18-31)39-25-7-5-6-8-26-40-34-23-19-32(20-24-34)38-36-30-15-11-28(4-2)12-16-30/h9-24H,3-8,25-26H2,1-2H3/b37-35+,38-36+
InChIKeyJADYNSSWFTUBRD-ATXIYDNESA-N
MW534.70 g/mol
LogP10.66
Rot. Bonds15

About (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene

(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene (PubChem CID 101048956) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
PubChem CID101048956
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC Name(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
SMILESCCc1ccc(/N=N/c2ccc(OCCCCCCOc3ccc(/N=N/c4ccc(CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H38N4O2/c1-3-27-9-13-29(14-10-27)35-37-31-17-21-33(22-18-31)39-25-7-5-6-8-26-40-34-23-19-32(20-24-34)38-36-30-15-11-28(4-2)12-16-30/h9-24H,3-8,25-26H2,1-2H3/b37-35+,38-36+
InChIKeyJADYNSSWFTUBRD-ATXIYDNESA-N
XLogP10.66
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
bis(4-heptoxyphenyl)diazene
CID 13087198
(4-butylphenyl)-[4-[6-[4-[(4-butylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048958
(4-pentylphenyl)-[4-[7-[4-[(4-pentylphenyl)diazenyl]phenoxy]heptoxy]phenyl]diazene
CID 101048948
[4-[(4-dodecoxyphenyl)diazenyl]phenyl]methyl-trimethylazanium
CID 132505765
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
(4-hexadecoxyphenyl)-(4-methylphenyl)diazene
CID 102454987
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
(4-heptylphenyl)-(4-propoxyphenyl)diazene
CID 86194744
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
(4-chlorophenyl)-(4-hexadecoxyphenyl)diazene
CID 102454986
CID 136836012
CID 136836012

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene?
The IUPAC name of (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene (CID 101048956) is (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene.
What is the SMILES notation for (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene?
The canonical SMILES for (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene is CCc1ccc(/N=N/c2ccc(OCCCCCCOc3ccc(/N=N/c4ccc(CC)cc4)cc3)cc2)cc1.
What is the InChIKey of (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene?
The InChIKey is JADYNSSWFTUBRD-ATXIYDNESA-N. The full InChI is InChI=1S/C34H38N4O2/c1-3-27-9-13-29(14-10-27)35-37-31-17-21-33(22-18-31)39-25-7-5-6-8-26-40-34-23-19-32(20-24-34)38-36-30-15-11-28(4-2)12-16-30/h9-24H,3-8,25-26H2,1-2H3/b37-35+,38-36+.
What are the key properties of (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene?
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene has a molecular weight of 534.70 g/mol, XLogP of 10.66, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene is sourced from PubChem (CID 101048956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).