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

C88H56N4 — CID 88887022

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

9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole (PubChem CID 88887022) has the molecular formula C88H56N4 and a molecular weight of 1169.44 g/mol. Its IUPAC name is 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
• PubChem CID: 88887022
• Molecular Formula: C88H56N4
• Molecular Weight: 1169.44 g/mol
• Exact Mass: 1168.45
• IUPAC Name: 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(-n7c8ccccc8c8ccccc87)cc65)n4)c3)c2)cc1
• InChI: InChI=1S/C88H56N4/c1-5-23-57(24-6-1)66-49-67(58-25-7-2-8-26-58)52-70(51-66)61-31-21-33-63(47-61)85-89-86(64-34-22-32-62(48-64)71-53-68(59-27-9-3-10-28-59)50-69(54-71)60-29-11-4-12-30-60)91-87(90-85)65-43-45-75-73-35-13-17-39-79(73)88(81(75)55-65)80-40-18-14-36-74(80)76-46-44-72(56-82(76)88)92-83-41-19-15-37-77(83)78-38-16-20-42-84(78)92/h1-56H
• InChIKey: AIKMVJQIQYYMPI-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.44
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole (CID 88887022) is 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole.

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

The canonical SMILES for 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(-n7c8ccccc8c8ccccc87)cc65)n4)c3)c2)cc1.

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

The InChIKey is AIKMVJQIQYYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N4/c1-5-23-57(24-6-1)66-49-67(58-25-7-2-8-26-58)52-70(51-66)61-31-21-33-63(47-61)85-89-86(64-34-22-32-62(48-64)71-53-68(59-27-9-3-10-28-59)50-69(54-71)60-29-11-4-12-30-60)91-87(90-85)65-43-45-75-73-35-13-17-39-79(73)88(81(75)55-65)80-40-18-14-36-74(80)76-46-44-72(56-82(76)88)92-83-41-19-15-37-77(83)78-38-16-20-42-84(78)92/h1-56H.

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

9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole has a molecular weight of 1169.44 g/mol, XLogP of 22.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole is sourced from PubChem (CID 88887022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).