6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine

C32H24ClN9 — CID 89037912

About 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 89037912) has the molecular formula C32H24ClN9 and a molecular weight of 570.06 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 89037912
• Molecular Formula: C32H24ClN9
• Molecular Weight: 570.06 g/mol
• Exact Mass: 569.18
• IUPAC Name: 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: Cc1cc(/N=N/c2ccccc2)ccc1Nc1nc(Cl)nc(Nc2ccc(/N=N/c3ccc4ccccc4c3)cc2)n1
• InChI: InChI=1S/C32H24ClN9/c1-21-19-27(41-39-25-9-3-2-4-10-25)17-18-29(21)35-32-37-30(33)36-31(38-32)34-24-13-15-26(16-14-24)40-42-28-12-11-22-7-5-6-8-23(22)20-28/h2-20H,1H3,(H2,34,35,36,37,38)/b41-39+,42-40+
• InChIKey: PYCKWHGEIRJYJW-LMXNTIJMSA-N
• XLogP: 10.30
• TPSA: 112.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.06
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 89037912) is 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine is Cc1cc(/N=N/c2ccccc2)ccc1Nc1nc(Cl)nc(Nc2ccc(/N=N/c3ccc4ccccc4c3)cc2)n1.

What is the InChIKey of 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is PYCKWHGEIRJYJW-LMXNTIJMSA-N. The full InChI is InChI=1S/C32H24ClN9/c1-21-19-27(41-39-25-9-3-2-4-10-25)17-18-29(21)35-32-37-30(33)36-31(38-32)34-24-13-15-26(16-14-24)40-42-28-12-11-22-7-5-6-8-23(22)20-28/h2-20H,1H3,(H2,34,35,36,37,38)/b41-39+,42-40+.

What are the key properties of 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine?

6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 570.06 g/mol, XLogP of 10.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89037912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).