2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine

C107H64N6O2 — CID 155305061

About 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine

2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 155305061) has the molecular formula C107H64N6O2 and a molecular weight of 1465.73 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
• PubChem CID: 155305061
• Molecular Formula: C107H64N6O2
• Molecular Weight: 1465.73 g/mol
• Exact Mass: 1464.51
• IUPAC Name: 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
• SMILES: C1=C(c2cccc(-c3nc(-c4ccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)cc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)c2)Cc2cccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)cc5)n4)cc1c23
• InChI: InChI=1S/C107H64N6O2/c1-2-23-67(24-3-1)100-108-101(68-51-46-65(47-52-68)81-34-20-42-93-98(81)114-95-44-16-14-40-91(95)106(93)87-36-10-6-30-83(87)84-31-7-11-37-88(84)106)112-105(111-100)78-61-73-27-19-26-72-60-76(62-77(63-78)97(72)73)70-25-18-28-74(58-70)103-109-102(110-104(113-103)75-56-57-80-71(59-75)55-50-64-22-4-5-29-79(64)80)69-53-48-66(49-54-69)82-35-21-43-94-99(82)115-96-45-17-15-41-92(96)107(94)89-38-12-8-32-85(89)86-33-9-13-39-90(86)107/h1-59,61-63H,60H2
• InChIKey: FKSJVVUZUGQWLZ-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 95.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1465.73
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine (CID 155305061) is 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine is C1=C(c2cccc(-c3nc(-c4ccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)cc4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)c2)Cc2cccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)cc5)n4)cc1c23.

What is the InChIKey of 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine?

The InChIKey is FKSJVVUZUGQWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H64N6O2/c1-2-23-67(24-3-1)100-108-101(68-51-46-65(47-52-68)81-34-20-42-93-98(81)114-95-44-16-14-40-91(95)106(93)87-36-10-6-30-83(87)84-31-7-11-37-88(84)106)112-105(111-100)78-61-73-27-19-26-72-60-76(62-77(63-78)97(72)73)70-25-18-28-74(58-70)103-109-102(110-104(113-103)75-56-57-80-71(59-75)55-50-64-22-4-5-29-79(64)80)69-53-48-66(49-54-69)82-35-21-43-94-99(82)115-96-45-17-15-41-92(96)107(94)89-38-12-8-32-85(89)86-33-9-13-39-90(86)107/h1-59,61-63H,60H2.

What are the key properties of 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine?

2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine has a molecular weight of 1465.73 g/mol, XLogP of 25.89, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenanthren-2-yl-4-[3-[5-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazin-2-yl]-1H-phenalen-2-yl]phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155305061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).