4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol

C26H24N2O2 — CID 138643424

IUPAC4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol
SMILESNc1ccc(-c2ccc(N)c(Cc3ccc(O)cc3)c2)cc1Cc1ccc(O)cc1
InChIInChI=1S/C26H24N2O2/c27-25-11-5-19(15-21(25)13-17-1-7-23(29)8-2-17)20-6-12-26(28)22(16-20)14-18-3-9-24(30)10-4-18/h1-12,15-16,29-30H,13-14,27-28H2
InChIKeyOZXXZFXNZBLOOH-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.11
Rot. Bonds5

About 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol

4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol (PubChem CID 138643424) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol
PubChem CID138643424
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol
SMILESNc1ccc(-c2ccc(N)c(Cc3ccc(O)cc3)c2)cc1Cc1ccc(O)cc1
InChIInChI=1S/C26H24N2O2/c27-25-11-5-19(15-21(25)13-17-1-7-23(29)8-2-17)20-6-12-26(28)22(16-20)14-18-3-9-24(30)10-4-18/h1-12,15-16,29-30H,13-14,27-28H2
InChIKeyOZXXZFXNZBLOOH-UHFFFAOYSA-N
XLogP5.11
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol?
The IUPAC name of 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol (CID 138643424) is 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol.
What is the SMILES notation for 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol?
The canonical SMILES for 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol is Nc1ccc(-c2ccc(N)c(Cc3ccc(O)cc3)c2)cc1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol?
The InChIKey is OZXXZFXNZBLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-25-11-5-19(15-21(25)13-17-1-7-23(29)8-2-17)20-6-12-26(28)22(16-20)14-18-3-9-24(30)10-4-18/h1-12,15-16,29-30H,13-14,27-28H2.
What are the key properties of 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol?
4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol has a molecular weight of 396.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-[4-amino-3-[(4-hydroxyphenyl)methyl]phenyl]phenyl]methyl]phenol is sourced from PubChem (CID 138643424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).