4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline

C36H30N3O3P — CID 142398377

IUPAC4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
SMILESNc1ccc(Oc2ccc(P(c3ccc(Oc4ccc(N)cc4)cc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H30N3O3P/c37-25-1-7-28(8-2-25)40-31-13-19-34(20-14-31)43(35-21-15-32(16-22-35)41-29-9-3-26(38)4-10-29)36-23-17-33(18-24-36)42-30-11-5-27(39)6-12-30/h1-24H,37-39H2
InChIKeyYYZTWFXUTKINDD-UHFFFAOYSA-N
MW583.63 g/mol
LogP7.57
Rot. Bonds9

About 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline

4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline (PubChem CID 142398377) has the molecular formula C36H30N3O3P and a molecular weight of 583.63 g/mol. Its IUPAC name is 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
PubChem CID142398377
Molecular FormulaC36H30N3O3P
Molecular Weight583.63 g/mol
Exact Mass583.20
IUPAC Name4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
SMILESNc1ccc(Oc2ccc(P(c3ccc(Oc4ccc(N)cc4)cc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H30N3O3P/c37-25-1-7-28(8-2-25)40-31-13-19-34(20-14-31)43(35-21-15-32(16-22-35)41-29-9-3-26(38)4-10-29)36-23-17-33(18-24-36)42-30-11-5-27(39)6-12-30/h1-24H,37-39H2
InChIKeyYYZTWFXUTKINDD-UHFFFAOYSA-N
XLogP7.57
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.63
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

4-bis(4-aminophenyl)phosphanylaniline
CID 18400377
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
CID 155487514
4-phenoxyaniline
CID 158390066
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[4-[4-[2-[2-[4-[4-(4-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338538
[4-(4-aminophenoxy)phenyl]-oxosulfanium
CID 174991384
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
4-(4-ethynylphenoxy)aniline
CID 19809286

Frequently Asked Questions

What is the IUPAC name of 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline?
The IUPAC name of 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline (CID 142398377) is 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline.
What is the SMILES notation for 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline?
The canonical SMILES for 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline is Nc1ccc(Oc2ccc(P(c3ccc(Oc4ccc(N)cc4)cc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline?
The InChIKey is YYZTWFXUTKINDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3O3P/c37-25-1-7-28(8-2-25)40-31-13-19-34(20-14-31)43(35-21-15-32(16-22-35)41-29-9-3-26(38)4-10-29)36-23-17-33(18-24-36)42-30-11-5-27(39)6-12-30/h1-24H,37-39H2.
What are the key properties of 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline?
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline has a molecular weight of 583.63 g/mol, XLogP of 7.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline is sourced from PubChem (CID 142398377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).