2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine

C51H39N3 — CID 160674553

About 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 160674553) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 160674553
• Molecular Formula: C51H39N3
• Molecular Weight: 693.89 g/mol
• Exact Mass: 693.31
• IUPAC Name: 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)cc5)c4)c3)n2)cc1
• InChI: InChI=1S/C51H39N3/c1-4-14-37(15-5-1)48-52-49(38-16-6-2-7-17-38)54-50(53-48)43-21-13-20-41(33-43)40-19-12-18-39(32-40)35-24-26-36(27-25-35)42-28-29-45-44-22-8-9-23-46(44)51(47(45)34-42)30-10-3-11-31-51/h1-2,4-9,12-29,32-34H,3,10-11,30-31H2
• InChIKey: TXKKWWZVDXQLFC-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.89
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 160674553) is 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc(-c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)cc5)c4)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

The InChIKey is TXKKWWZVDXQLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-4-14-37(15-5-1)48-52-49(38-16-6-2-7-17-38)54-50(53-48)43-21-13-20-41(33-43)40-19-12-18-39(32-40)35-24-26-36(27-25-35)42-28-29-45-44-22-8-9-23-46(44)51(47(45)34-42)30-10-3-11-31-51/h1-2,4-9,12-29,32-34H,3,10-11,30-31H2.

What are the key properties of 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?

2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 693.89 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 160674553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).