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

C57H43N3 — CID 162137850

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

2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 162137850) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 162137850
• Molecular Formula: C57H43N3
• Molecular Weight: 769.99 g/mol
• Exact Mass: 769.35
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7ccc8c(c7)-c7ccccc7C87CCCCC7)cc6)cc5)c4)n3)c2)cc1
• InChI: InChI=1S/C57H43N3/c1-4-14-39(15-5-1)45-18-12-20-48(36-45)55-58-54(44-16-6-2-7-17-44)59-56(60-55)49-21-13-19-46(37-49)42-28-24-40(25-29-42)41-26-30-43(31-27-41)47-32-33-53-51(38-47)50-22-8-9-23-52(50)57(53)34-10-3-11-35-57/h1-2,4-9,12-33,36-38H,3,10-11,34-35H2
• InChIKey: FSZVMIQOGKXVKO-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.99
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 162137850) is 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6ccc(-c7ccc8c(c7)-c7ccccc7C87CCCCC7)cc6)cc5)c4)n3)c2)cc1.

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

The InChIKey is FSZVMIQOGKXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-4-14-39(15-5-1)45-18-12-20-48(36-45)55-58-54(44-16-6-2-7-17-44)59-56(60-55)49-21-13-19-46(37-49)42-28-24-40(25-29-42)41-26-30-43(31-27-41)47-32-33-53-51(38-47)50-22-8-9-23-52(50)57(53)34-10-3-11-35-57/h1-2,4-9,12-33,36-38H,3,10-11,34-35H2.

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

2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 769.99 g/mol, XLogP of 14.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 162137850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).