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

C69H43N5O — CID 174273348

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

5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole (PubChem CID 174273348) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
• PubChem CID: 174273348
• Molecular Formula: C69H43N5O
• Molecular Weight: 958.14 g/mol
• Exact Mass: 957.35
• IUPAC Name: 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccc(-c8ccccc8)cc6n7-c6ccccc6)cccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
• InChI: InChI=1S/C69H43N5O/c1-4-19-44(20-5-1)46-37-39-47(40-38-46)67-70-68(72-69(71-67)57-31-16-30-53-50-25-12-15-36-63(50)75-66(53)57)56-27-11-14-33-59(56)74-58-32-13-10-26-54(58)64-51(29-18-35-61(64)74)52-28-17-34-60-65(52)55-42-41-48(45-21-6-2-7-22-45)43-62(55)73(60)49-23-8-3-9-24-49/h1-43H
• InChIKey: UHAARXNJWCSMAU-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.14
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole (CID 174273348) is 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole.

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

The canonical SMILES for 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccc(-c8ccccc8)cc6n7-c6ccccc6)cccc54)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.

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

The InChIKey is UHAARXNJWCSMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5O/c1-4-19-44(20-5-1)46-37-39-47(40-38-46)67-70-68(72-69(71-67)57-31-16-30-53-50-25-12-15-36-63(50)75-66(53)57)56-27-11-14-33-59(56)74-58-32-13-10-26-54(58)64-51(29-18-35-61(64)74)52-28-17-34-60-65(52)55-42-41-48(45-21-6-2-7-22-45)43-62(55)73(60)49-23-8-3-9-24-49/h1-43H.

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

5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole has a molecular weight of 958.14 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole is sourced from PubChem (CID 174273348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).