[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene

C31H32N2O — CID 21342333

IUPAC[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene
SMILESCOc1c(/N=N/c2ccccc2)cc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C31H32N2O/c1-30(2,23-15-9-6-10-16-23)25-21-27(31(3,4)24-17-11-7-12-18-24)29(34-5)28(22-25)33-32-26-19-13-8-14-20-26/h6-22H,1-5H3/b33-32+
InChIKeyMWMWGFOUGUROAS-ULIFNZDWSA-N
MW448.61 g/mol
LogP8.76
Rot. Bonds7

About [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene

[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene (PubChem CID 21342333) has the molecular formula C31H32N2O and a molecular weight of 448.61 g/mol. Its IUPAC name is [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene
PubChem CID21342333
Molecular FormulaC31H32N2O
Molecular Weight448.61 g/mol
Exact Mass448.25
IUPAC Name[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene
SMILESCOc1c(/N=N/c2ccccc2)cc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C31H32N2O/c1-30(2,23-15-9-6-10-16-23)25-21-27(31(3,4)24-17-11-7-12-18-24)29(34-5)28(22-25)33-32-26-19-13-8-14-20-26/h6-22H,1-5H3/b33-32+
InChIKeyMWMWGFOUGUROAS-ULIFNZDWSA-N
XLogP8.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

phenyl-[2-(2-phenylpropan-2-yl)phenyl]diazene
CID 88596726
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
2-phenylpropan-2-ylbenzene
CID 13065
[2-methoxy-5-methyl-3-[methyl(diphenyl)silyl]phenyl]-phenyldiazene
CID 21342367
2-chloro-3,6-dimethoxy-4-phenyldiazenylaniline
CID 21417382
2-methoxy-4-phenyldiazenylnaphthalen-1-amine
CID 23338736
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
2-methoxy-4-methyl-5-(2-phenylpropan-2-yl)benzene-1,3-diol
CID 88637730
(2-methoxy-3-phenylphenyl)-phenyldiazene
CID 21342365
4-chloro-2-[(3,5-ditert-butyl-2-methoxyphenyl)diazenyl]aniline
CID 130285815
2-hydroxyphosphanyl-4,6-bis(2-phenylpropan-2-yl)phenolate
CID 102133332
bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-tert-butylphosphane
CID 162462392

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene?
The IUPAC name of [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene (CID 21342333) is [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene.
What is the SMILES notation for [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene?
The canonical SMILES for [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene is COc1c(/N=N/c2ccccc2)cc(C(C)(C)c2ccccc2)cc1C(C)(C)c1ccccc1.
What is the InChIKey of [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene?
The InChIKey is MWMWGFOUGUROAS-ULIFNZDWSA-N. The full InChI is InChI=1S/C31H32N2O/c1-30(2,23-15-9-6-10-16-23)25-21-27(31(3,4)24-17-11-7-12-18-24)29(34-5)28(22-25)33-32-26-19-13-8-14-20-26/h6-22H,1-5H3/b33-32+.
What are the key properties of [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene?
[2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene has a molecular weight of 448.61 g/mol, XLogP of 8.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3,5-bis(2-phenylpropan-2-yl)phenyl]-phenyldiazene is sourced from PubChem (CID 21342333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).