N-ethyl-4-tritylaniline

C27H25N — CID 3023846

IUPACN-ethyl-4-tritylaniline
SMILESCCNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N/c1-2-28-26-20-18-25(19-21-26)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21,28H,2H2,1H3
InChIKeyKPVHNMPZJYOBCU-UHFFFAOYSA-N
MW363.50 g/mol
LogP6.50
Rot. Bonds6

About N-ethyl-4-tritylaniline

N-ethyl-4-tritylaniline (PubChem CID 3023846) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is N-ethyl-4-tritylaniline.

Molecular Properties

Compound NameN-ethyl-4-tritylaniline
PubChem CID3023846
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC NameN-ethyl-4-tritylaniline
SMILESCCNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N/c1-2-28-26-20-18-25(19-21-26)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21,28H,2H2,1H3
InChIKeyKPVHNMPZJYOBCU-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-tritylaniline?
The IUPAC name of N-ethyl-4-tritylaniline (CID 3023846) is N-ethyl-4-tritylaniline.
What is the SMILES notation for N-ethyl-4-tritylaniline?
The canonical SMILES for N-ethyl-4-tritylaniline is CCNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-tritylaniline?
The InChIKey is KPVHNMPZJYOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-2-28-26-20-18-25(19-21-26)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-21,28H,2H2,1H3.
What are the key properties of N-ethyl-4-tritylaniline?
N-ethyl-4-tritylaniline has a molecular weight of 363.50 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-tritylaniline is sourced from PubChem (CID 3023846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).