N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline

C51H81N5O — CID 118565779

IUPACN-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline
SMILESCCCCCCCCCCCCN(CCC(C)CC(C)(C)C)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3)cc2OCCC(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C51H81N5O/c1-13-14-15-16-17-18-19-20-21-22-31-56(32-29-40(3)37-50(7,8)9)45-27-28-46(42(5)34-45)53-55-48-35-43(6)47(54-52-44-25-23-39(2)24-26-44)36-49(48)57-33-30-41(4)38-51(10,11)12/h23-28,34-36,40-41H,13-22,29-33,37-38H2,1-12H3/b54-52+,55-53+
InChIKeyGKTHOHLTUPZUEO-UTTFBYFCSA-N
MW780.24 g/mol
LogP17.47
Rot. Bonds25

About N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline

N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline (PubChem CID 118565779) has the molecular formula C51H81N5O and a molecular weight of 780.24 g/mol. Its IUPAC name is N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline.

Molecular Properties

Compound NameN-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline
PubChem CID118565779
Molecular FormulaC51H81N5O
Molecular Weight780.24 g/mol
Exact Mass779.64
IUPAC NameN-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline
SMILESCCCCCCCCCCCCN(CCC(C)CC(C)(C)C)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3)cc2OCCC(C)CC(C)(C)C)c(C)c1
InChIInChI=1S/C51H81N5O/c1-13-14-15-16-17-18-19-20-21-22-31-56(32-29-40(3)37-50(7,8)9)45-27-28-46(42(5)34-45)53-55-48-35-43(6)47(54-52-44-25-23-39(2)24-26-44)36-49(48)57-33-30-41(4)38-51(10,11)12/h23-28,34-36,40-41H,13-22,29-33,37-38H2,1-12H3/b54-52+,55-53+
InChIKeyGKTHOHLTUPZUEO-UTTFBYFCSA-N
XLogP17.47
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.24
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline?
The IUPAC name of N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline (CID 118565779) is N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline.
What is the SMILES notation for N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline?
The canonical SMILES for N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline is CCCCCCCCCCCCN(CCC(C)CC(C)(C)C)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3)cc2OCCC(C)CC(C)(C)C)c(C)c1.
What is the InChIKey of N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline?
The InChIKey is GKTHOHLTUPZUEO-UTTFBYFCSA-N. The full InChI is InChI=1S/C51H81N5O/c1-13-14-15-16-17-18-19-20-21-22-31-56(32-29-40(3)37-50(7,8)9)45-27-28-46(42(5)34-45)53-55-48-35-43(6)47(54-52-44-25-23-39(2)24-26-44)36-49(48)57-33-30-41(4)38-51(10,11)12/h23-28,34-36,40-41H,13-22,29-33,37-38H2,1-12H3/b54-52+,55-53+.
What are the key properties of N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline?
N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline has a molecular weight of 780.24 g/mol, XLogP of 17.47, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-methyl-4-[[5-methyl-4-[(4-methylphenyl)diazenyl]-2-(3,5,5-trimethylhexoxy)phenyl]diazenyl]-N-(3,5,5-trimethylhexyl)aniline is sourced from PubChem (CID 118565779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).