4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline

C36H28N2 — CID 19357591

IUPAC4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline
SMILESNc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H28N2/c37-30-23-21-29(22-24-30)31-32(25-13-5-1-6-14-25)34(27-17-9-3-10-18-27)36(38)35(28-19-11-4-12-20-28)33(31)26-15-7-2-8-16-26/h1-24H,37-38H2
InChIKeyDSNQPNGWFBNTQE-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.19
Rot. Bonds5

About 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline

4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline (PubChem CID 19357591) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline
PubChem CID19357591
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline
SMILESNc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H28N2/c37-30-23-21-29(22-24-30)31-32(25-13-5-1-6-14-25)34(27-17-9-3-10-18-27)36(38)35(28-19-11-4-12-20-28)33(31)26-15-7-2-8-16-26/h1-24H,37-38H2
InChIKeyDSNQPNGWFBNTQE-UHFFFAOYSA-N
XLogP9.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.19
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 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline (CID 19357591) is 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline is Nc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(N)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline?
The InChIKey is DSNQPNGWFBNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c37-30-23-21-29(22-24-30)31-32(25-13-5-1-6-14-25)34(27-17-9-3-10-18-27)36(38)35(28-19-11-4-12-20-28)33(31)26-15-7-2-8-16-26/h1-24H,37-38H2.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline?
4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline has a molecular weight of 488.63 g/mol, XLogP of 9.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetraphenylaniline is sourced from PubChem (CID 19357591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).