6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol

C45H28N4O6 — CID 174170243

About 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol

6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 174170243) has the molecular formula C45H28N4O6 and a molecular weight of 720.74 g/mol. Its IUPAC name is 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol
• PubChem CID: 174170243
• Molecular Formula: C45H28N4O6
• Molecular Weight: 720.74 g/mol
• Exact Mass: 720.20
• IUPAC Name: 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol
• SMILES: Oc1c(O)c(O)c(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c4oc5ccccc5c34)n2)c(O)c1O
• InChI: InChI=1S/C45H28N4O6/c50-37-36(38(51)40(53)41(54)39(37)52)45-47-43(25-13-5-2-6-14-25)46-44(48-45)30-21-22-32(42-35(30)29-16-8-10-18-34(29)55-42)49-31-17-9-7-15-27(31)28-20-19-26(23-33(28)49)24-11-3-1-4-12-24/h1-23,50-54H
• InChIKey: GQGIXPSKBUOKKB-UHFFFAOYSA-N
• XLogP: 10.06
• TPSA: 157.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.74
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol (CID 174170243) is 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)c4oc5ccccc5c34)n2)c(O)c1O.

What is the InChIKey of 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol?

The InChIKey is GQGIXPSKBUOKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O6/c50-37-36(38(51)40(53)41(54)39(37)52)45-47-43(25-13-5-2-6-14-25)46-44(48-45)30-21-22-32(42-35(30)29-16-8-10-18-34(29)55-42)49-31-17-9-7-15-27(31)28-20-19-26(23-33(28)49)24-11-3-1-4-12-24/h1-23,50-54H.

What are the key properties of 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol?

6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 720.74 g/mol, XLogP of 10.06, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-phenyl-6-[4-(2-phenylcarbazol-9-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 174170243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).