2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole

C57H36N4O2 — CID 155203381

About 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole

2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole (PubChem CID 155203381) has the molecular formula C57H36N4O2 and a molecular weight of 808.94 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole.

Molecular Properties

• Compound Name: 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
• PubChem CID: 155203381
• Molecular Formula: C57H36N4O2
• Molecular Weight: 808.94 g/mol
• Exact Mass: 808.28
• IUPAC Name: 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
• SMILES: C1=CCCC(c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccc5c(c4)oc4c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cccc45)c3c2)=C1
• InChI: InChI=1S/C57H36N4O2/c1-4-15-35(16-5-1)39-31-47(36-17-6-2-7-18-36)53-45-22-10-12-25-48(45)61(49(53)32-39)40-28-30-43-44-23-14-24-46(54(44)63-52(43)34-40)57-59-55(37-19-8-3-9-20-37)58-56(60-57)38-27-29-42-41-21-11-13-26-50(41)62-51(42)33-38/h1-4,6-15,17-34H,5,16H2
• InChIKey: SYXFMEFQVCRNDH-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.94
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole (CID 155203381) is 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole.

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

The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole is C1=CCCC(c2cc(-c3ccccc3)c3c4ccccc4n(-c4ccc5c(c4)oc4c(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cccc45)c3c2)=C1.

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

The InChIKey is SYXFMEFQVCRNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O2/c1-4-15-35(16-5-1)39-31-47(36-17-6-2-7-18-36)53-45-22-10-12-25-48(45)61(49(53)32-39)40-28-30-43-44-23-14-24-46(54(44)63-52(43)34-40)57-59-55(37-19-8-3-9-20-37)58-56(60-57)38-27-29-42-41-21-11-13-26-50(41)62-51(42)33-38/h1-4,6-15,17-34H,5,16H2.

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

2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole has a molecular weight of 808.94 g/mol, XLogP of 15.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole is sourced from PubChem (CID 155203381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).