4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

C37H25N5O2 — CID 134234566

About 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione

4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234566) has the molecular formula C37H25N5O2 and a molecular weight of 571.64 g/mol. Its IUPAC name is 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
• PubChem CID: 134234566
• Molecular Formula: C37H25N5O2
• Molecular Weight: 571.64 g/mol
• Exact Mass: 571.20
• IUPAC Name: 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)n1
• InChI: InChI=1S/C37H25N5O2/c1-22-38-23(2)40-35(39-22)25-19-20-32-29(21-25)27-14-7-9-17-31(27)41(32)33-18-10-15-28-34(33)37(44)42(36(28)43)30-16-8-6-13-26(30)24-11-4-3-5-12-24/h3-21H,1-2H3
• InChIKey: FJSUKAXYIVKPBB-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 80.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.64
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?

The IUPAC name of 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione (CID 134234566) is 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)n1.

What is the InChIKey of 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?

The InChIKey is FJSUKAXYIVKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5O2/c1-22-38-23(2)40-35(39-22)25-19-20-32-29(21-25)27-14-7-9-17-31(27)41(32)33-18-10-15-28-34(33)37(44)42(36(28)43)30-16-8-6-13-26(30)24-11-4-3-5-12-24/h3-21H,1-2H3.

What are the key properties of 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione?

4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione has a molecular weight of 571.64 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).