4-[(4-aminophenyl)-diphenylmethyl]aniline

C25H22N2 — CID 2832486

IUPAC4-[(4-aminophenyl)-diphenylmethyl]aniline
SMILESNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C25H22N2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18H,26-27H2
InChIKeyOKEZMGTXDZCARO-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.23
Rot. Bonds4

About 4-[(4-aminophenyl)-diphenylmethyl]aniline

4-[(4-aminophenyl)-diphenylmethyl]aniline (PubChem CID 2832486) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-diphenylmethyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-diphenylmethyl]aniline
PubChem CID2832486
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name4-[(4-aminophenyl)-diphenylmethyl]aniline
SMILESNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C25H22N2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18H,26-27H2
InChIKeyOKEZMGTXDZCARO-UHFFFAOYSA-N
XLogP5.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-diphenylmethyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-diphenylmethyl]aniline (CID 2832486) is 4-[(4-aminophenyl)-diphenylmethyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-diphenylmethyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-diphenylmethyl]aniline is Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-diphenylmethyl]aniline?
The InChIKey is OKEZMGTXDZCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18H,26-27H2.
What are the key properties of 4-[(4-aminophenyl)-diphenylmethyl]aniline?
4-[(4-aminophenyl)-diphenylmethyl]aniline has a molecular weight of 350.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-diphenylmethyl]aniline is sourced from PubChem (CID 2832486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).