4,5-diamino-2,3-diphenylphenol

C18H16N2O — CID 154143783

IUPAC4,5-diamino-2,3-diphenylphenol
SMILESNc1cc(O)c(-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C18H16N2O/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11,21H,19-20H2
InChIKeyGTLJHLJVYLMZQX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.89
Rot. Bonds2

About 4,5-diamino-2,3-diphenylphenol

4,5-diamino-2,3-diphenylphenol (PubChem CID 154143783) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,5-diamino-2,3-diphenylphenol.

Molecular Properties

Compound Name4,5-diamino-2,3-diphenylphenol
PubChem CID154143783
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4,5-diamino-2,3-diphenylphenol
SMILESNc1cc(O)c(-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C18H16N2O/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11,21H,19-20H2
InChIKeyGTLJHLJVYLMZQX-UHFFFAOYSA-N
XLogP3.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2,3-diphenylphenol?
The IUPAC name of 4,5-diamino-2,3-diphenylphenol (CID 154143783) is 4,5-diamino-2,3-diphenylphenol.
What is the SMILES notation for 4,5-diamino-2,3-diphenylphenol?
The canonical SMILES for 4,5-diamino-2,3-diphenylphenol is Nc1cc(O)c(-c2ccccc2)c(-c2ccccc2)c1N.
What is the InChIKey of 4,5-diamino-2,3-diphenylphenol?
The InChIKey is GTLJHLJVYLMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)20)13-9-5-2-6-10-13/h1-11,21H,19-20H2.
What are the key properties of 4,5-diamino-2,3-diphenylphenol?
4,5-diamino-2,3-diphenylphenol has a molecular weight of 276.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2,3-diphenylphenol is sourced from PubChem (CID 154143783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).