2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole

C57H34N4O2 — CID 156521712

About 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole

2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole (PubChem CID 156521712) has the molecular formula C57H34N4O2 and a molecular weight of 806.93 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
• PubChem CID: 156521712
• Molecular Formula: C57H34N4O2
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.27
• IUPAC Name: 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7oc8ccccc8c67)cc54)c(-c4ccccc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
• InChI: InChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)45-33-38(56-58-55(36-17-5-2-6-18-36)59-57(60-56)44-23-14-28-52-54(44)43-21-9-12-26-50(43)63-52)30-32-47(45)61-46-24-10-7-19-40(46)41-31-29-37(34-48(41)61)39-22-13-27-51-53(39)42-20-8-11-25-49(42)62-51/h1-34H
• InChIKey: DKQMBIDEDBVVOQ-UHFFFAOYSA-N
• XLogP: 15.10
• 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	806.93
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole (CID 156521712) is 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole.

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

The canonical SMILES for 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7oc8ccccc8c67)cc54)c(-c4ccccc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.

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

The InChIKey is DKQMBIDEDBVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-3-15-35(16-4-1)45-33-38(56-58-55(36-17-5-2-6-18-36)59-57(60-56)44-23-14-28-52-54(44)43-21-9-12-26-50(43)63-52)30-32-47(45)61-46-24-10-7-19-40(46)41-31-29-37(34-48(41)61)39-22-13-27-51-53(39)42-20-8-11-25-49(42)62-51/h1-34H.

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

2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole has a molecular weight of 806.93 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole is sourced from PubChem (CID 156521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).