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

C55H41N3 — CID 159855157

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

2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine (PubChem CID 159855157) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine
• PubChem CID: 159855157
• Molecular Formula: C55H41N3
• Molecular Weight: 743.95 g/mol
• Exact Mass: 743.33
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc7c6C6(CCCCC6)c6ccccc6-7)c6ccccc56)cc4)n3)c2)cc1
• InChI: InChI=1S/C55H41N3/c1-4-16-37(17-5-1)41-20-14-21-42(36-41)54-57-52(39-18-6-2-7-19-39)56-53(58-54)40-30-28-38(29-31-40)43-32-33-46(45-23-9-8-22-44(43)45)48-25-15-26-49-47-24-10-11-27-50(47)55(51(48)49)34-12-3-13-35-55/h1-2,4-11,14-33,36H,3,12-13,34-35H2
• InChIKey: FYCLTSCFTLUSLQ-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.95
LogP ≤ 5	14.26
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-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine (CID 159855157) is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc7c6C6(CCCCC6)c6ccccc6-7)c6ccccc56)cc4)n3)c2)cc1.

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

The InChIKey is FYCLTSCFTLUSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3/c1-4-16-37(17-5-1)41-20-14-21-42(36-41)54-57-52(39-18-6-2-7-19-39)56-53(58-54)40-30-28-38(29-31-40)43-32-33-46(45-23-9-8-22-44(43)45)48-25-15-26-49-47-24-10-11-27-50(47)55(51(48)49)34-12-3-13-35-55/h1-2,4-11,14-33,36H,3,12-13,34-35H2.

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

2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine has a molecular weight of 743.95 g/mol, XLogP of 14.26, 6 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-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159855157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).