2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline

C33H24N6 — CID 176869716

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline
SMILES[H]/N=C(\c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C33H24N6/c34-30(26-19-10-11-20-27(26)35-25-17-8-3-9-18-25)28-21-12-22-29(36-28)33-38-31(23-13-4-1-5-14-23)37-32(39-33)24-15-6-2-7-16-24/h1-22,34-35H/b34-30-
InChIKeyIBERPHXDZTXJMB-BVNFUTIRSA-N
MW504.60 g/mol
LogP7.43
Rot. Bonds7

About 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline (PubChem CID 176869716) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline
PubChem CID176869716
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline
SMILES[H]/N=C(\c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C33H24N6/c34-30(26-19-10-11-20-27(26)35-25-17-8-3-9-18-25)28-21-12-22-29(36-28)33-38-31(23-13-4-1-5-14-23)37-32(39-33)24-15-6-2-7-16-24/h1-22,34-35H/b34-30-
InChIKeyIBERPHXDZTXJMB-BVNFUTIRSA-N
XLogP7.43
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]benzenecarboximidoyl]-N-phenylaniline
CID 154596856
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N-phenylaniline
CID 154596550
N-[2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]benzenecarboximidoyl]phenyl]pyridin-4-amine
CID 154596680
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluorene-3-carboximidoyl]-N,4-diphenylaniline
CID 154596750
N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine
CID 152976135
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine
CID 154596585
bis(2-anilinophenyl)methanone
CID 141301141
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154704675
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methanimidoyl-N-phenylcarbazol-2-amine
CID 144644893
3,4-dianilinobenzenecarboximidamide
CID 142296312

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline (CID 176869716) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline is [H]/N=C(\c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline?
The InChIKey is IBERPHXDZTXJMB-BVNFUTIRSA-N. The full InChI is InChI=1S/C33H24N6/c34-30(26-19-10-11-20-27(26)35-25-17-8-3-9-18-25)28-21-12-22-29(36-28)33-38-31(23-13-4-1-5-14-23)37-32(39-33)24-15-6-2-7-16-24/h1-22,34-35H/b34-30-.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline has a molecular weight of 504.60 g/mol, XLogP of 7.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline is sourced from PubChem (CID 176869716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).