8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

C107H63N7S2 — CID 163703777

About 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 163703777) has the molecular formula C107H63N7S2 and a molecular weight of 1510.86 g/mol. Its IUPAC name is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

• Compound Name: 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
• PubChem CID: 163703777
• Molecular Formula: C107H63N7S2
• Molecular Weight: 1510.86 g/mol
• Exact Mass: 1509.46
• IUPAC Name: 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5-c5nc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc(-c6cccc7c6Sc6ccccc6C76c7ccccc7-c7ccccc76)n5)cc5cccnc45)cc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C107H63N7S2/c1-2-25-66(26-3-1)100-109-101(112-104(111-100)83-38-22-46-93-98(83)115-95-48-20-18-44-91(95)106(93)87-40-14-10-33-78(87)79-34-11-15-41-88(79)106)68-56-52-65(53-57-68)85-63-71(61-70-27-24-60-108-97(70)85)72-28-4-9-37-82(72)103-110-102(67-54-50-64(51-55-67)69-58-59-77-75-31-6-5-29-73(75)74-30-7-8-32-76(74)86(77)62-69)113-105(114-103)84-39-23-47-94-99(84)116-96-49-21-19-45-92(96)107(94)89-42-16-12-35-80(89)81-36-13-17-43-90(81)107/h1-63H
• InChIKey: KDHCTCIWCTUWAC-UHFFFAOYSA-N
• XLogP: 26.72
• TPSA: 90.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1510.86
LogP ≤ 5	26.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?

The IUPAC name of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 163703777) is 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

What is the SMILES notation for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?

The canonical SMILES for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5-c5nc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc(-c6cccc7c6Sc6ccccc6C76c7ccccc7-c7ccccc76)n5)cc5cccnc45)cc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?

The InChIKey is KDHCTCIWCTUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H63N7S2/c1-2-25-66(26-3-1)100-109-101(112-104(111-100)83-38-22-46-93-98(83)115-95-48-20-18-44-91(95)106(93)87-40-14-10-33-78(87)79-34-11-15-41-88(79)106)68-56-52-65(53-57-68)85-63-71(61-70-27-24-60-108-97(70)85)72-28-4-9-37-82(72)103-110-102(67-54-50-64(51-55-67)69-58-59-77-75-31-6-5-29-73(75)74-30-7-8-32-76(74)86(77)62-69)113-105(114-103)84-39-23-47-94-99(84)116-96-49-21-19-45-92(96)107(94)89-42-16-12-35-80(89)81-36-13-17-43-90(81)107/h1-63H.

What are the key properties of 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?

8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 1510.86 g/mol, XLogP of 26.72, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 163703777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).