4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine

C24H20N2O — CID 176653688

IUPAC4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2ccc(Oc3ccccc3)c(-c3ccccc3)c2)c(N)c1
InChIInChI=1S/C24H20N2O/c25-19-12-13-21(23(26)16-19)18-11-14-24(27-20-9-5-2-6-10-20)22(15-18)17-7-3-1-4-8-17/h1-16H,25-26H2
InChIKeyVZZUDOSDGGFVAX-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.98
Rot. Bonds4

About 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine

4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine (PubChem CID 176653688) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
PubChem CID176653688
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2ccc(Oc3ccccc3)c(-c3ccccc3)c2)c(N)c1
InChIInChI=1S/C24H20N2O/c25-19-12-13-21(23(26)16-19)18-11-14-24(27-20-9-5-2-6-10-20)22(15-18)17-7-3-1-4-8-17/h1-16H,25-26H2
InChIKeyVZZUDOSDGGFVAX-UHFFFAOYSA-N
XLogP5.98
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine (CID 176653688) is 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine is Nc1ccc(-c2ccc(Oc3ccccc3)c(-c3ccccc3)c2)c(N)c1.
What is the InChIKey of 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine?
The InChIKey is VZZUDOSDGGFVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-19-12-13-21(23(26)16-19)18-11-14-24(27-20-9-5-2-6-10-20)22(15-18)17-7-3-1-4-8-17/h1-16H,25-26H2.
What are the key properties of 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine?
4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine has a molecular weight of 352.44 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 176653688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).