bis(3,5-diphenylphenyl)diazene

C36H26N2 — CID 122370501

IUPACbis(3,5-diphenylphenyl)diazene
SMILESc1ccc(-c2cc(/N=N/c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26N2/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-35(23-31)37-38-36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30/h1-26H/b38-37+
InChIKeyCTNAIPWMSHLJOZ-HEFFKOSUSA-N
MW486.62 g/mol
LogP10.77
Rot. Bonds6

About bis(3,5-diphenylphenyl)diazene

bis(3,5-diphenylphenyl)diazene (PubChem CID 122370501) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is bis(3,5-diphenylphenyl)diazene.

Molecular Properties

Compound Namebis(3,5-diphenylphenyl)diazene
PubChem CID122370501
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Namebis(3,5-diphenylphenyl)diazene
SMILESc1ccc(-c2cc(/N=N/c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26N2/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-35(23-31)37-38-36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30/h1-26H/b38-37+
InChIKeyCTNAIPWMSHLJOZ-HEFFKOSUSA-N
XLogP10.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-diphenylphenyl)diazene?
The IUPAC name of bis(3,5-diphenylphenyl)diazene (CID 122370501) is bis(3,5-diphenylphenyl)diazene.
What is the SMILES notation for bis(3,5-diphenylphenyl)diazene?
The canonical SMILES for bis(3,5-diphenylphenyl)diazene is c1ccc(-c2cc(/N=N/c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of bis(3,5-diphenylphenyl)diazene?
The InChIKey is CTNAIPWMSHLJOZ-HEFFKOSUSA-N. The full InChI is InChI=1S/C36H26N2/c1-5-13-27(14-6-1)31-21-32(28-15-7-2-8-16-28)24-35(23-31)37-38-36-25-33(29-17-9-3-10-18-29)22-34(26-36)30-19-11-4-12-20-30/h1-26H/b38-37+.
What are the key properties of bis(3,5-diphenylphenyl)diazene?
bis(3,5-diphenylphenyl)diazene has a molecular weight of 486.62 g/mol, XLogP of 10.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-diphenylphenyl)diazene is sourced from PubChem (CID 122370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).