2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C69H44N4 — CID 58943557

About 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943557) has the molecular formula C69H44N4 and a molecular weight of 929.14 g/mol. Its IUPAC name is 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 58943557
• Molecular Formula: C69H44N4
• Molecular Weight: 929.14 g/mol
• Exact Mass: 928.36
• IUPAC Name: 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc4-5)c3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C69H44N4/c1-5-19-45(20-6-1)64-43-55(44-65(70-64)46-21-7-2-8-22-46)51-29-17-27-49(39-51)52-35-37-58-59-38-36-53(42-63(59)69(62(58)41-52)60-33-15-13-31-56(60)57-32-14-16-34-61(57)69)50-28-18-30-54(40-50)68-72-66(47-23-9-3-10-24-47)71-67(73-68)48-25-11-4-12-26-48/h1-44H
• InChIKey: WAOAYMDDZUFMTD-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.14
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58943557) is 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc4-5)c3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is WAOAYMDDZUFMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N4/c1-5-19-45(20-6-1)64-43-55(44-65(70-64)46-21-7-2-8-22-46)51-29-17-27-49(39-51)52-35-37-58-59-38-36-53(42-63(59)69(62(58)41-52)60-33-15-13-31-56(60)57-32-14-16-34-61(57)69)50-28-18-30-54(40-50)68-72-66(47-23-9-3-10-24-47)71-67(73-68)48-25-11-4-12-26-48/h1-44H.

What are the key properties of 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 929.14 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[7'-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).