2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline

C36H32N4 — CID 161385819

IUPAC2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1.Nc1ccccc1-c1ccccc1-c1ccccc1N
InChIInChI=1S/2C18H16N2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h2*1-12H,19-20H2
InChIKeyVSIDYSYMVUQGNU-UHFFFAOYSA-N
MW520.68 g/mol
LogP8.37
Rot. Bonds4

About 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline

2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline (PubChem CID 161385819) has the molecular formula C36H32N4 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
PubChem CID161385819
Molecular FormulaC36H32N4
Molecular Weight520.68 g/mol
Exact Mass520.26
IUPAC Name2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1.Nc1ccccc1-c1ccccc1-c1ccccc1N
InChIInChI=1S/2C18H16N2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h2*1-12H,19-20H2
InChIKeyVSIDYSYMVUQGNU-UHFFFAOYSA-N
XLogP8.37
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 58.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2-(2,4-diphenylphenyl)aniline
CID 163426287
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
2-[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 177381757
palladium(2+);2-phenylaniline
CID 175718665
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
CID 175025707
4-(2-aminophenyl)-3-fluoroaniline
CID 68788831
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline (CID 161385819) is 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline is Nc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1.Nc1ccccc1-c1ccccc1-c1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline?
The InChIKey is VSIDYSYMVUQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N2/c19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)20;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h2*1-12H,19-20H2.
What are the key properties of 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline?
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline has a molecular weight of 520.68 g/mol, XLogP of 8.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline is sourced from PubChem (CID 161385819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).