3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole

C70H42N4O — CID 129291968

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole (PubChem CID 129291968) has the molecular formula C70H42N4O and a molecular weight of 955.13 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
• PubChem CID: 129291968
• Molecular Formula: C70H42N4O
• Molecular Weight: 955.13 g/mol
• Exact Mass: 954.34
• IUPAC Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C70H42N4O/c1-4-18-43(19-5-1)67-71-68(44-20-6-2-7-21-44)73-69(72-67)53-28-17-33-64-66(53)56-41-46(36-39-63(56)75-64)45-34-37-61-54(40-45)55-42-47(35-38-62(55)74(61)48-22-8-3-9-23-48)49-27-16-32-60-65(49)52-26-12-15-31-59(52)70(60)57-29-13-10-24-50(57)51-25-11-14-30-58(51)70/h1-42H
• InChIKey: FVVHYUGBUDHRNM-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.13
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole (CID 129291968) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole.

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

The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc6n7-c6ccccc6)cc5c34)n2)cc1.

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

The InChIKey is FVVHYUGBUDHRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4O/c1-4-18-43(19-5-1)67-71-68(44-20-6-2-7-21-44)73-69(72-67)53-28-17-33-64-66(53)56-41-46(36-39-63(56)75-64)45-34-37-61-54(40-45)55-42-47(35-38-62(55)74(61)48-22-8-3-9-23-48)49-27-16-32-60-65(49)52-26-12-15-31-59(52)70(60)57-29-13-10-24-50(57)51-25-11-14-30-58(51)70/h1-42H.

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole has a molecular weight of 955.13 g/mol, XLogP of 17.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole is sourced from PubChem (CID 129291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).