2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole

C59H34N4O2 — CID 139342632

About 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole

2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 139342632) has the molecular formula C59H34N4O2 and a molecular weight of 830.95 g/mol. Its IUPAC name is 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
• PubChem CID: 139342632
• Molecular Formula: C59H34N4O2
• Molecular Weight: 830.95 g/mol
• Exact Mass: 830.27
• IUPAC Name: 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)oc4ccc(-c6nc(-c7ccc8c(ccc9ccccc98)c7)nc(-c7ccc8oc9ccccc9c8c7)n6)cc45)cc32)cc1
• InChI: InChI=1S/C59H34N4O2/c1-2-11-42(12-3-1)63-51-16-8-6-14-45(51)46-26-20-36(33-52(46)63)37-21-27-48-50-32-41(24-29-55(50)65-56(48)34-37)59-61-57(39-22-25-44-38(30-39)19-18-35-10-4-5-13-43(35)44)60-58(62-59)40-23-28-54-49(31-40)47-15-7-9-17-53(47)64-54/h1-34H
• InChIKey: LGOOJCSEXZJDBG-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.95
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The IUPAC name of 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (CID 139342632) is 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)oc4ccc(-c6nc(-c7ccc8c(ccc9ccccc98)c7)nc(-c7ccc8oc9ccccc9c8c7)n6)cc45)cc32)cc1.

What is the InChIKey of 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

The InChIKey is LGOOJCSEXZJDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4O2/c1-2-11-42(12-3-1)63-51-16-8-6-14-45(51)46-26-20-36(33-52(46)63)37-21-27-48-50-32-41(24-29-55(50)65-56(48)34-37)59-61-57(39-22-25-44-38(30-39)19-18-35-10-4-5-13-43(35)44)60-58(62-59)40-23-28-54-49(31-40)47-15-7-9-17-53(47)64-54/h1-34H.

What are the key properties of 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?

2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 830.95 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4-dibenzofuran-2-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 139342632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).