4-bis(4-aminophenyl)phosphanylaniline

C18H18N3P — CID 18400377

IUPAC4-bis(4-aminophenyl)phosphanylaniline
SMILESNc1ccc(P(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H18N3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChIKeyXEYWVOCQBWZJGE-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.19
Rot. Bonds3

About 4-bis(4-aminophenyl)phosphanylaniline

4-bis(4-aminophenyl)phosphanylaniline (PubChem CID 18400377) has the molecular formula C18H18N3P and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-bis(4-aminophenyl)phosphanylaniline.

Molecular Properties

Compound Name4-bis(4-aminophenyl)phosphanylaniline
PubChem CID18400377
Molecular FormulaC18H18N3P
Molecular Weight307.34 g/mol
Exact Mass307.12
IUPAC Name4-bis(4-aminophenyl)phosphanylaniline
SMILESNc1ccc(P(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H18N3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChIKeyXEYWVOCQBWZJGE-UHFFFAOYSA-N
XLogP2.19
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
CID 155487514
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
4-dithiophen-2-ylphosphanylaniline
CID 163208691
4-diphenylphosphanylbenzene-1,2-diamine
CID 170557408
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
benzene-1,4-diamine;ethane;methane
CID 159498580
copper(1+);triphenylphosphane;bromide
CID 87491658
(3,5-dimethylphenyl)-bis(4-methylphenyl)phosphane
CID 129275176
ethane;tris(4-methylphenyl)phosphane
CID 145151678
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072

Frequently Asked Questions

What is the IUPAC name of 4-bis(4-aminophenyl)phosphanylaniline?
The IUPAC name of 4-bis(4-aminophenyl)phosphanylaniline (CID 18400377) is 4-bis(4-aminophenyl)phosphanylaniline.
What is the SMILES notation for 4-bis(4-aminophenyl)phosphanylaniline?
The canonical SMILES for 4-bis(4-aminophenyl)phosphanylaniline is Nc1ccc(P(c2ccc(N)cc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-bis(4-aminophenyl)phosphanylaniline?
The InChIKey is XEYWVOCQBWZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2.
What are the key properties of 4-bis(4-aminophenyl)phosphanylaniline?
4-bis(4-aminophenyl)phosphanylaniline has a molecular weight of 307.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(4-aminophenyl)phosphanylaniline is sourced from PubChem (CID 18400377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).