2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C35H20ClN3O — CID 166741757

About 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 166741757) has the molecular formula C35H20ClN3O and a molecular weight of 534.02 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 166741757
• Molecular Formula: C35H20ClN3O
• Molecular Weight: 534.02 g/mol
• Exact Mass: 533.13
• IUPAC Name: 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
• SMILES: Clc1ccc2c(c1)oc1cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n3)c12
• InChI: InChI=1S/C35H20ClN3O/c36-23-17-18-27-31(20-23)40-30-16-8-15-28(32(27)30)34-37-33(21-9-2-1-3-10-21)38-35(39-34)29-19-22-11-4-5-12-24(22)25-13-6-7-14-26(25)29/h1-20H
• InChIKey: QXNQDRAMTAKTLP-UHFFFAOYSA-N
• XLogP: 9.73
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.02
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 166741757) is 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is Clc1ccc2c(c1)oc1cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n3)c12.

What is the InChIKey of 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The InChIKey is QXNQDRAMTAKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20ClN3O/c36-23-17-18-27-31(20-23)40-30-16-8-15-28(32(27)30)34-37-33(21-9-2-1-3-10-21)38-35(39-34)29-19-22-11-4-5-12-24(22)25-13-6-7-14-26(25)29/h1-20H.

What are the key properties of 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 534.02 g/mol, XLogP of 9.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166741757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).