2-chloro-4-tritylaniline

C25H20ClN — CID 3502862

IUPAC2-chloro-4-tritylaniline
SMILESNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C25H20ClN/c26-23-18-22(16-17-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,27H2
InChIKeyJSVSFYWXXNKBJV-UHFFFAOYSA-N
MW369.90 g/mol
LogP6.30
Rot. Bonds4

About 2-chloro-4-tritylaniline

2-chloro-4-tritylaniline (PubChem CID 3502862) has the molecular formula C25H20ClN and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-chloro-4-tritylaniline.

Molecular Properties

Compound Name2-chloro-4-tritylaniline
PubChem CID3502862
Molecular FormulaC25H20ClN
Molecular Weight369.90 g/mol
Exact Mass369.13
IUPAC Name2-chloro-4-tritylaniline
SMILESNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C25H20ClN/c26-23-18-22(16-17-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,27H2
InChIKeyJSVSFYWXXNKBJV-UHFFFAOYSA-N
XLogP6.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-amino-3-methoxyphenyl)-diphenylmethyl]-2-methoxyaniline
CID 146642580
1-chloro-4-tritylbenzene
CID 14737307
1-chloro-3-tritylbenzene
CID 14737306
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
CID 69449546
CID 69449546
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
sulfuryl dichloride;tritylbenzene
CID 174476389
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-tritylaniline?
The IUPAC name of 2-chloro-4-tritylaniline (CID 3502862) is 2-chloro-4-tritylaniline.
What is the SMILES notation for 2-chloro-4-tritylaniline?
The canonical SMILES for 2-chloro-4-tritylaniline is Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-tritylaniline?
The InChIKey is JSVSFYWXXNKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN/c26-23-18-22(16-17-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,27H2.
What are the key properties of 2-chloro-4-tritylaniline?
2-chloro-4-tritylaniline has a molecular weight of 369.90 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-tritylaniline is sourced from PubChem (CID 3502862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).