bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene

C64H50N2O2 — CID 102573103

IUPACbis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene
SMILESCOc1ccc(-c2ccc(-c3cc(C)cc(-c4ccc(-c5ccccc5)cc4)c3/N=N/c3c(-c4ccc(-c5ccccc5)cc4)cc(C)cc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H50N2O2/c1-43-39-59(53-23-15-47(16-24-53)45-11-7-5-8-12-45)63(61(41-43)55-27-19-49(20-28-55)51-31-35-57(67-3)36-32-51)65-66-64-60(54-25-17-48(18-26-54)46-13-9-6-10-14-46)40-44(2)42-62(64)56-29-21-50(22-30-56)52-33-37-58(68-4)38-34-52/h5-42H,1-4H3/b66-65+
InChIKeyBGJZLHGAZZNUQJ-AZGLQUJLSA-N
MW879.12 g/mol
LogP18.07
Rot. Bonds12

About bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene

bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene (PubChem CID 102573103) has the molecular formula C64H50N2O2 and a molecular weight of 879.12 g/mol. Its IUPAC name is bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene.

Molecular Properties

Compound Namebis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene
PubChem CID102573103
Molecular FormulaC64H50N2O2
Molecular Weight879.12 g/mol
Exact Mass878.39
IUPAC Namebis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene
SMILESCOc1ccc(-c2ccc(-c3cc(C)cc(-c4ccc(-c5ccccc5)cc4)c3/N=N/c3c(-c4ccc(-c5ccccc5)cc4)cc(C)cc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H50N2O2/c1-43-39-59(53-23-15-47(16-24-53)45-11-7-5-8-12-45)63(61(41-43)55-27-19-49(20-28-55)51-31-35-57(67-3)36-32-51)65-66-64-60(54-25-17-48(18-26-54)46-13-9-6-10-14-46)40-44(2)42-62(64)56-29-21-50(22-30-56)52-33-37-58(68-4)38-34-52/h5-42H,1-4H3/b66-65+
InChIKeyBGJZLHGAZZNUQJ-AZGLQUJLSA-N
XLogP18.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)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

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene?
The IUPAC name of bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene (CID 102573103) is bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene.
What is the SMILES notation for bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene?
The canonical SMILES for bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene is COc1ccc(-c2ccc(-c3cc(C)cc(-c4ccc(-c5ccccc5)cc4)c3/N=N/c3c(-c4ccc(-c5ccccc5)cc4)cc(C)cc3-c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene?
The InChIKey is BGJZLHGAZZNUQJ-AZGLQUJLSA-N. The full InChI is InChI=1S/C64H50N2O2/c1-43-39-59(53-23-15-47(16-24-53)45-11-7-5-8-12-45)63(61(41-43)55-27-19-49(20-28-55)51-31-35-57(67-3)36-32-51)65-66-64-60(54-25-17-48(18-26-54)46-13-9-6-10-14-46)40-44(2)42-62(64)56-29-21-50(22-30-56)52-33-37-58(68-4)38-34-52/h5-42H,1-4H3/b66-65+.
What are the key properties of bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene?
bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene has a molecular weight of 879.12 g/mol, XLogP of 18.07, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene is sourced from PubChem (CID 102573103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).