1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone

C32H24N4O — CID 174554384

IUPAC1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone
SMILESO=C(c1ccccc1)C(c1ccc(/N=N/c2ccccc2)cc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C32H24N4O/c37-32(26-10-4-1-5-11-26)31(24-16-20-29(21-17-24)35-33-27-12-6-2-7-13-27)25-18-22-30(23-19-25)36-34-28-14-8-3-9-15-28/h1-23,31H/b35-33+,36-34+
InChIKeyBJRPIZXEZVBYJA-LBYUQGKWSA-N
MW480.57 g/mol
LogP9.53
Rot. Bonds8

About 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone

1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone (PubChem CID 174554384) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone
PubChem CID174554384
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone
SMILESO=C(c1ccccc1)C(c1ccc(/N=N/c2ccccc2)cc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C32H24N4O/c37-32(26-10-4-1-5-11-26)31(24-16-20-29(21-17-24)35-33-27-12-6-2-7-13-27)25-18-22-30(23-19-25)36-34-28-14-8-3-9-15-28/h1-23,31H/b35-33+,36-34+
InChIKeyBJRPIZXEZVBYJA-LBYUQGKWSA-N
XLogP9.53
TPSA66.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenyldiazenylbenzoic acid
CID 15276
(4-phenyldiazenylphenyl)methanediol
CID 88611351
diphenyldiazene;urea
CID 175083568
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
3-phenyldiazenylbenzoic acid
CID 555783
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
carboxy-(4-phenyldiazenylphenyl)carbamic acid
CID 175154168
3,3-bis(4-phenyldiazenylphenyl)propanal
CID 174807739
diphenyldiazene;hydrofluoride
CID 174857584

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone?
The IUPAC name of 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone (CID 174554384) is 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone.
What is the SMILES notation for 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone?
The canonical SMILES for 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone is O=C(c1ccccc1)C(c1ccc(/N=N/c2ccccc2)cc1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone?
The InChIKey is BJRPIZXEZVBYJA-LBYUQGKWSA-N. The full InChI is InChI=1S/C32H24N4O/c37-32(26-10-4-1-5-11-26)31(24-16-20-29(21-17-24)35-33-27-12-6-2-7-13-27)25-18-22-30(23-19-25)36-34-28-14-8-3-9-15-28/h1-23,31H/b35-33+,36-34+.
What are the key properties of 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone?
1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone has a molecular weight of 480.57 g/mol, XLogP of 9.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-bis(4-phenyldiazenylphenyl)ethanone is sourced from PubChem (CID 174554384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).