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

C94H61N3 — CID 167230136

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

2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 167230136) has the molecular formula C94H61N3 and a molecular weight of 1232.54 g/mol. Its IUPAC name is 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 167230136
• Molecular Formula: C94H61N3
• Molecular Weight: 1232.54 g/mol
• Exact Mass: 1231.49
• IUPAC Name: 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7cccc(-c8cccc(-c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)c8)c7)c6)cc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5)n4)cc3)c2)cc1
• InChI: InChI=1S/C94H61N3/c1-3-20-62(21-4-1)68-24-13-26-70(54-68)64-44-48-66(49-45-64)91-95-92(97-93(96-91)82-37-19-36-80(60-82)78-34-17-31-75(58-78)72-28-14-25-69(55-72)63-22-5-2-6-23-63)67-50-46-65(47-51-67)71-27-15-29-73(56-71)74-30-16-32-76(57-74)77-33-18-35-79(59-77)81-52-53-86-85-40-9-12-43-89(85)94(90(86)61-81)87-41-10-7-38-83(87)84-39-8-11-42-88(84)94/h1-61H
• InChIKey: RYGWYLLNBHXNSP-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.54
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine (CID 167230136) is 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6cccc(-c7cccc(-c8cccc(-c9ccc%10c(c9)C9(c%11ccccc%11-c%11ccccc%119)c9ccccc9-%10)c8)c7)c6)cc5)nc(-c5cccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5)n4)cc3)c2)cc1.

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

The InChIKey is RYGWYLLNBHXNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H61N3/c1-3-20-62(21-4-1)68-24-13-26-70(54-68)64-44-48-66(49-45-64)91-95-92(97-93(96-91)82-37-19-36-80(60-82)78-34-17-31-75(58-78)72-28-14-25-69(55-72)63-22-5-2-6-23-63)67-50-46-65(47-51-67)71-27-15-29-73(56-71)74-30-16-32-76(57-74)77-33-18-35-79(59-77)81-52-53-86-85-40-9-12-43-89(85)94(90(86)61-81)87-41-10-7-38-83(87)84-39-8-11-42-88(84)94/h1-61H.

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

2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1232.54 g/mol, XLogP of 24.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167230136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).