[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate

C30H30N2O5 — CID 57362147

IUPAC[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate
SMILESCN(C)c1ccc(C(=O)OOOOC(c2ccccc2)(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C30H30N2O5/c1-31(2)27-19-15-23(16-20-27)29(33)34-36-37-35-30(24-11-7-5-8-12-24,25-13-9-6-10-14-25)26-17-21-28(22-18-26)32(3)4/h5-22H,1-4H3
InChIKeyVIVQCWYRGRKZJE-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.76
Rot. Bonds10

About [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate

[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate (PubChem CID 57362147) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate
PubChem CID57362147
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate
SMILESCN(C)c1ccc(C(=O)OOOOC(c2ccccc2)(c2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C30H30N2O5/c1-31(2)27-19-15-23(16-20-27)29(33)34-36-37-35-30(24-11-7-5-8-12-24,25-13-9-6-10-14-25)26-17-21-28(22-18-26)32(3)4/h5-22H,1-4H3
InChIKeyVIVQCWYRGRKZJE-UHFFFAOYSA-N
XLogP5.76
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate?
The IUPAC name of [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate (CID 57362147) is [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate?
The canonical SMILES for [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate is CN(C)c1ccc(C(=O)OOOOC(c2ccccc2)(c2ccccc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate?
The InChIKey is VIVQCWYRGRKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-31(2)27-19-15-23(16-20-27)29(33)34-36-37-35-30(24-11-7-5-8-12-24,25-13-9-6-10-14-25)26-17-21-28(22-18-26)32(3)4/h5-22H,1-4H3.
What are the key properties of [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate?
[[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate has a molecular weight of 498.58 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-diphenylmethyl]peroxy 4-(dimethylamino)benzenecarboperoxoate is sourced from PubChem (CID 57362147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).