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

C114H86N6 — CID 158169777

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

2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 158169777) has the molecular formula C114H86N6 and a molecular weight of 1539.98 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 158169777
• Molecular Formula: C114H86N6
• Molecular Weight: 1539.98 g/mol
• Exact Mass: 1538.69
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8c7C7(CCCCC7)c7ccccc7-8)c6)cc5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7cccc8c7C7(CCCCC7)c7ccccc7-8)cc6)c5)cc4)n3)c2)cc1
• InChI: InChI=1S/2C57H43N3/c1-4-15-39(16-5-1)46-20-13-22-48(38-46)56-59-54(43-17-6-2-7-18-43)58-55(60-56)44-33-31-41(32-34-44)40-27-29-42(30-28-40)45-19-12-21-47(37-45)49-24-14-25-51-50-23-8-9-26-52(50)57(53(49)51)35-10-3-11-36-57;1-4-15-39(16-5-1)47-21-13-22-48(38-47)56-59-54(43-17-6-2-7-18-43)58-55(60-56)44-33-29-41(30-34-44)46-20-12-19-45(37-46)40-27-31-42(32-28-40)49-24-14-25-51-50-23-8-9-26-52(50)57(53(49)51)35-10-3-11-36-57/h2*1-2,4-9,12-34,37-38H,3,10-11,35-36H2
• InChIKey: FXHPWODFADGQPN-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1539.98
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 158169777) is 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8c7C7(CCCCC7)c7ccccc7-8)c6)cc5)cc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7cccc8c7C7(CCCCC7)c7ccccc7-8)cc6)c5)cc4)n3)c2)cc1.

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

The InChIKey is FXHPWODFADGQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H43N3/c1-4-15-39(16-5-1)46-20-13-22-48(38-46)56-59-54(43-17-6-2-7-18-43)58-55(60-56)44-33-31-41(32-34-44)40-27-29-42(30-28-40)45-19-12-21-47(37-45)49-24-14-25-51-50-23-8-9-26-52(50)57(53(49)51)35-10-3-11-36-57;1-4-15-39(16-5-1)47-21-13-22-48(38-47)56-59-54(43-17-6-2-7-18-43)58-55(60-56)44-33-29-41(30-34-44)46-20-12-19-45(37-46)40-27-31-42(32-28-40)49-24-14-25-51-50-23-8-9-26-52(50)57(53(49)51)35-10-3-11-36-57/h2*1-2,4-9,12-34,37-38H,3,10-11,35-36H2.

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

2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1539.98 g/mol, XLogP of 29.54, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 158169777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).