4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline

C30H23N2O3P — CID 67859357

IUPAC4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2-c2cccc(P=O)c2-c2ccccc2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C30H23N2O3P/c31-20-12-16-22(17-13-20)34-27-9-3-1-6-24(27)25-8-5-11-29(36-33)30(25)26-7-2-4-10-28(26)35-23-18-14-21(32)15-19-23/h1-19H,31-32H2
InChIKeyJOWGTWYZUIQVBE-UHFFFAOYSA-N
MW490.50 g/mol
LogP7.69
Rot. Bonds7

About 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline

4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline (PubChem CID 67859357) has the molecular formula C30H23N2O3P and a molecular weight of 490.50 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline
PubChem CID67859357
Molecular FormulaC30H23N2O3P
Molecular Weight490.50 g/mol
Exact Mass490.14
IUPAC Name4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2-c2cccc(P=O)c2-c2ccccc2Oc2ccc(N)cc2)cc1
InChIInChI=1S/C30H23N2O3P/c31-20-12-16-22(17-13-20)34-27-9-3-1-6-24(27)25-8-5-11-29(36-33)30(25)26-7-2-4-10-28(26)35-23-18-14-21(32)15-19-23/h1-19H,31-32H2
InChIKeyJOWGTWYZUIQVBE-UHFFFAOYSA-N
XLogP7.69
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.50
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline?
The IUPAC name of 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline (CID 67859357) is 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline.
What is the SMILES notation for 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline?
The canonical SMILES for 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline is Nc1ccc(Oc2ccccc2-c2cccc(P=O)c2-c2ccccc2Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline?
The InChIKey is JOWGTWYZUIQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2O3P/c31-20-12-16-22(17-13-20)34-27-9-3-1-6-24(27)25-8-5-11-29(36-33)30(25)26-7-2-4-10-28(26)35-23-18-14-21(32)15-19-23/h1-19H,31-32H2.
What are the key properties of 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline?
4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline has a molecular weight of 490.50 g/mol, XLogP of 7.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline is sourced from PubChem (CID 67859357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).