[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene

C37H60N2OS2 — CID 20729276

IUPAC[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene
SMILES[H]/N=N/c1c(SCCCCCCCCCCCC)cc(-c2ccc(OC)cc2)cc1SCCCCCCCCCCCC
InChIInChI=1S/C37H60N2OS2/c1-4-6-8-10-12-14-16-18-20-22-28-41-35-30-33(32-24-26-34(40-3)27-25-32)31-36(37(35)39-38)42-29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-31,38H,4-23,28-29H2,1-3H3/b39-38+
InChIKeyANHRJPSESGWECS-YMZYAJTMSA-N
MW613.03 g/mol
LogP14.05
Rot. Bonds27

About [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene

[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene (PubChem CID 20729276) has the molecular formula C37H60N2OS2 and a molecular weight of 613.03 g/mol. Its IUPAC name is [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene.

Molecular Properties

Compound Name[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene
PubChem CID20729276
Molecular FormulaC37H60N2OS2
Molecular Weight613.03 g/mol
Exact Mass612.41
IUPAC Name[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene
SMILES[H]/N=N/c1c(SCCCCCCCCCCCC)cc(-c2ccc(OC)cc2)cc1SCCCCCCCCCCCC
InChIInChI=1S/C37H60N2OS2/c1-4-6-8-10-12-14-16-18-20-22-28-41-35-30-33(32-24-26-34(40-3)27-25-32)31-36(37(35)39-38)42-29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-31,38H,4-23,28-29H2,1-3H3/b39-38+
InChIKeyANHRJPSESGWECS-YMZYAJTMSA-N
XLogP14.05
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.03
LogP ≤ 514.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene with MolForge

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

Launch Full Analysis

Related Compounds

[5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
CID 20729314
[5-chloro-4-(4-methoxyphenyl)-2-octoxyphenyl]diazene
CID 20729312
1-dodecylsulfanyl-4-(4-pentoxyphenyl)benzene
CID 70387892
1-pentoxy-4-(4-undecylsulfanylphenyl)benzene
CID 70386945
[2,5-bis[2-(2-butoxyphenoxy)ethoxy]-4-(4-methoxyphenyl)phenyl]diazene
CID 20729262
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-hexylsulfanyl-4-(4-undecylsulfanylphenyl)benzene
CID 70387626
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
2,6-bis(4-butoxyphenyl)-4-(4-methoxyphenyl)thiopyrylium
CID 159437746
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
5-(4-octoxyphenyl)-2-undecylsulfanylpyrimidine
CID 14401073
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene?
The IUPAC name of [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene (CID 20729276) is [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene.
What is the SMILES notation for [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene?
The canonical SMILES for [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene is [H]/N=N/c1c(SCCCCCCCCCCCC)cc(-c2ccc(OC)cc2)cc1SCCCCCCCCCCCC.
What is the InChIKey of [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene?
The InChIKey is ANHRJPSESGWECS-YMZYAJTMSA-N. The full InChI is InChI=1S/C37H60N2OS2/c1-4-6-8-10-12-14-16-18-20-22-28-41-35-30-33(32-24-26-34(40-3)27-25-32)31-36(37(35)39-38)42-29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-31,38H,4-23,28-29H2,1-3H3/b39-38+.
What are the key properties of [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene?
[2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene has a molecular weight of 613.03 g/mol, XLogP of 14.05, 27 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(dodecylsulfanyl)-4-(4-methoxyphenyl)phenyl]diazene is sourced from PubChem (CID 20729276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).