4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline

C36H30N3P — CID 155487514

IUPAC4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
SMILESNc1ccc(-c2ccc(P(c3ccc(-c4ccc(N)cc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H30N3P/c37-31-13-1-25(2-14-31)28-7-19-34(20-8-28)40(35-21-9-29(10-22-35)26-3-15-32(38)16-4-26)36-23-11-30(12-24-36)27-5-17-33(39)18-6-27/h1-24H,37-39H2
InChIKeyCCRBWZSKPFOLKO-UHFFFAOYSA-N
MW535.63 g/mol
LogP7.19
Rot. Bonds6

About 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline

4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline (PubChem CID 155487514) has the molecular formula C36H30N3P and a molecular weight of 535.63 g/mol. Its IUPAC name is 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline.

Molecular Properties

Compound Name4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
PubChem CID155487514
Molecular FormulaC36H30N3P
Molecular Weight535.63 g/mol
Exact Mass535.22
IUPAC Name4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline
SMILESNc1ccc(-c2ccc(P(c3ccc(-c4ccc(N)cc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H30N3P/c37-31-13-1-25(2-14-31)28-7-19-34(20-8-28)40(35-21-9-29(10-22-35)26-3-15-32(38)16-4-26)36-23-11-30(12-24-36)27-5-17-33(39)18-6-27/h1-24H,37-39H2
InChIKeyCCRBWZSKPFOLKO-UHFFFAOYSA-N
XLogP7.19
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 57.19
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-bis(4-aminophenyl)phosphanylaniline
CID 18400377
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-[4-bis[4-(4-aminophenoxy)phenyl]phosphanylphenoxy]aniline
CID 142398377
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
benzene-1,4-diamine;nickel
CID 87271840
benzene-1,4-diamine;methane
CID 158825195
4-dithiophen-2-ylphosphanylaniline
CID 163208691

Frequently Asked Questions

What is the IUPAC name of 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline?
The IUPAC name of 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline (CID 155487514) is 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline.
What is the SMILES notation for 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline?
The canonical SMILES for 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline is Nc1ccc(-c2ccc(P(c3ccc(-c4ccc(N)cc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline?
The InChIKey is CCRBWZSKPFOLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N3P/c37-31-13-1-25(2-14-31)28-7-19-34(20-8-28)40(35-21-9-29(10-22-35)26-3-15-32(38)16-4-26)36-23-11-30(12-24-36)27-5-17-33(39)18-6-27/h1-24H,37-39H2.
What are the key properties of 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline?
4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline has a molecular weight of 535.63 g/mol, XLogP of 7.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bis[4-(4-aminophenyl)phenyl]phosphanylphenyl]aniline is sourced from PubChem (CID 155487514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).