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

C69H43N5O — CID 174270378

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

5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole (PubChem CID 174270378) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
• PubChem CID: 174270378
• Molecular Formula: C69H43N5O
• Molecular Weight: 958.14 g/mol
• Exact Mass: 957.35
• IUPAC Name: 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)c(-n3c4ccccc4c4c(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)cccc43)c2)cc1
• InChI: InChI=1S/C69H43N5O/c1-5-20-44(21-6-1)47-38-40-53-60(42-47)73(49-26-11-4-12-27-49)58-34-17-30-51(65(53)58)50-31-18-35-59-64(50)52-28-13-15-33-57(52)74(59)61-43-48(45-22-7-2-8-23-45)39-41-54(61)68-70-67(46-24-9-3-10-25-46)71-69(72-68)56-32-19-37-63-66(56)55-29-14-16-36-62(55)75-63/h1-43H
• InChIKey: GMFWKZJZTOHAMY-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-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole?

The IUPAC name of 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole (CID 174270378) is 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole.

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

The canonical SMILES for 5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)c(-n3c4ccccc4c4c(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)cccc43)c2)cc1.

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

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

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

5-[9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]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-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-2,9-diphenylcarbazole is sourced from PubChem (CID 174270378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).