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

C70H42N4O — CID 154602166

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole (PubChem CID 154602166) 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]-3-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]-3-yl)carbazole
• PubChem CID: 154602166
• 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]-3-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)-c8ccccc8C98c9ccccc9-c9ccccc98)ccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C70H42N4O/c1-4-17-43(18-5-1)67-71-68(44-19-6-2-7-20-44)73-69(72-67)53-26-16-30-65-66(53)57-42-48(34-38-64(57)75-65)47-33-37-63-56(41-47)55-40-46(32-36-62(55)74(63)49-21-8-3-9-22-49)45-31-35-61-54(39-45)52-25-12-15-29-60(52)70(61)58-27-13-10-23-50(58)51-24-11-14-28-59(51)70/h1-42H
• InChIKey: YAVJZIAOLAQAGI-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]-3-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]-3-yl)carbazole (CID 154602166) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-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]-3-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]-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9c(c8)-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]-3-yl)carbazole?

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

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-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]-3-yl)carbazole is sourced from PubChem (CID 154602166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).