oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium

C40H66N2O3 — CID 177416222

IUPACoxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
SMILESCCCCCCCCCCCCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C40H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-44-39-31-27-37(28-32-39)41-42(43)38-29-33-40(34-30-38)45-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3/b42-41-
InChIKeyJIADOUHQSAKLCE-DYFOJMMBSA-N
MW622.98 g/mol
LogP13.77
Rot. Bonds30

About oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium

oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium (PubChem CID 177416222) has the molecular formula C40H66N2O3 and a molecular weight of 622.98 g/mol. Its IUPAC name is oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium.

Molecular Properties

Compound Nameoxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
PubChem CID177416222
Molecular FormulaC40H66N2O3
Molecular Weight622.98 g/mol
Exact Mass622.51
IUPAC Nameoxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium
SMILESCCCCCCCCCCCCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C40H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-44-39-31-27-37(28-32-39)41-42(43)38-29-33-40(34-30-38)45-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3/b42-41-
InChIKeyJIADOUHQSAKLCE-DYFOJMMBSA-N
XLogP13.77
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.98
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-heptoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177449528
(4-octoxyphenyl)imino-oxido-(4-propoxyphenyl)azanium
CID 177455412
[4-(2-methylbutyl)phenyl]-oxido-(4-pentoxyphenyl)iminoazanium
CID 71400436
(4-butylphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
CID 21449610
1-nitro-4-octadecoxybenzene
CID 4258205
bis(4-heptoxyphenyl)diazene
CID 13087198
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-butoxyphenyl)-[4-[8-[4-[(4-butoxyphenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 101490875
(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
1,4-dipentoxybenzene
CID 18314717
CID 136836012
CID 136836012

Frequently Asked Questions

What is the IUPAC name of oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium?
The IUPAC name of oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium (CID 177416222) is oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium.
What is the SMILES notation for oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium?
The canonical SMILES for oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium is CCCCCCCCCCCCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium?
The InChIKey is JIADOUHQSAKLCE-DYFOJMMBSA-N. The full InChI is InChI=1S/C40H66N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-44-39-31-27-37(28-32-39)41-42(43)38-29-33-40(34-30-38)45-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3/b42-41-.
What are the key properties of oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium?
oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium has a molecular weight of 622.98 g/mol, XLogP of 13.77, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(4-tetradecoxyphenyl)-(4-tetradecoxyphenyl)iminoazanium is sourced from PubChem (CID 177416222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).