2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine

C88H50Cl4N12O4 — CID 163523335

About 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine

2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine (PubChem CID 163523335) has the molecular formula C88H50Cl4N12O4 and a molecular weight of 1481.26 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 163523335
• Molecular Formula: C88H50Cl4N12O4
• Molecular Weight: 1481.26 g/mol
• Exact Mass: 1478.28
• IUPAC Name: 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
• SMILES: Clc1nc(-c2ccccc2)nc(-c2cc3ccccc3c3c2oc2ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3oc4ccccc4c23)n1
• InChI: InChI=1S/C25H14ClN3O.3C21H12ClN3O/c26-25-28-23(15-8-2-1-3-9-15)27-24(29-25)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)30-22(19)21;22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-14H;3*1-12H
• InChIKey: DMSGDWIJKGADLN-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.26
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine (CID 163523335) is 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cc3ccccc3c3c2oc2ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3oc4ccccc4c3c2)n1.Clc1nc(-c2ccccc2)nc(-c2cccc3oc4ccccc4c23)n1.

What is the InChIKey of 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine?

The InChIKey is DMSGDWIJKGADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClN3O.3C21H12ClN3O/c26-25-28-23(15-8-2-1-3-9-15)27-24(29-25)19-14-16-10-4-5-11-17(16)21-18-12-6-7-13-20(18)30-22(19)21;22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14/h1-14H;3*1-12H.

What are the key properties of 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine?

2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine has a molecular weight of 1481.26 g/mol, XLogP of 24.19, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-chloro-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163523335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).