3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline

C24H20N2 — CID 18003218

IUPAC3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
SMILESNc1cccc(-c2ccccc2-c2ccccc2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H,25-26H2
InChIKeyCIKCIMNVYVQVHQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.85
Rot. Bonds3

About 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline (PubChem CID 18003218) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
PubChem CID18003218
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
SMILESNc1cccc(-c2ccccc2-c2ccccc2-c2cccc(N)c2)c1
InChIInChI=1S/C24H20N2/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H,25-26H2
InChIKeyCIKCIMNVYVQVHQ-UHFFFAOYSA-N
XLogP5.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline?
The IUPAC name of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline (CID 18003218) is 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline?
The canonical SMILES for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline is Nc1cccc(-c2ccccc2-c2ccccc2-c2cccc(N)c2)c1.
What is the InChIKey of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline?
The InChIKey is CIKCIMNVYVQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H,25-26H2.
What are the key properties of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline?
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline has a molecular weight of 336.44 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 18003218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).