3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline

C15H11ClN4 — CID 170034814

IUPAC3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
SMILESNc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN4/c16-15-19-13(10-5-2-1-3-6-10)18-14(20-15)11-7-4-8-12(17)9-11/h1-9H,17H2
InChIKeyWYDYNZQPZCPPPT-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.44
Rot. Bonds2

About 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline

3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline (PubChem CID 170034814) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound Name3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
PubChem CID170034814
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline
SMILESNc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H11ClN4/c16-15-19-13(10-5-2-1-3-6-10)18-14(20-15)11-7-4-8-12(17)9-11/h1-9H,17H2
InChIKeyWYDYNZQPZCPPPT-UHFFFAOYSA-N
XLogP3.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
3-[4-[3-(methylamino)phenyl]-6-phenyl-1,3,5-triazin-2-yl]aniline
CID 143239836
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-chloro-4-phenyl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177283386
2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;phenylboronic acid
CID 159203578
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline?
The IUPAC name of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline (CID 170034814) is 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline?
The canonical SMILES for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline is Nc1cccc(-c2nc(Cl)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline?
The InChIKey is WYDYNZQPZCPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-15-19-13(10-5-2-1-3-6-10)18-14(20-15)11-7-4-8-12(17)9-11/h1-9H,17H2.
What are the key properties of 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline?
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline has a molecular weight of 282.73 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 170034814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).