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

C107H64N6O2 — CID 146342991

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

2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146342991) has the molecular formula C107H64N6O2 and a molecular weight of 1465.73 g/mol. Its IUPAC name is 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146342991
• Molecular Formula: C107H64N6O2
• Molecular Weight: 1465.73 g/mol
• Exact Mass: 1464.51
• IUPAC Name: 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C1=Cc2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5cc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9)nc(-c9ccc%10c(ccc%11ccccc%11%10)c9)n8)cc7)ccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc3cccc(c23)C1
• InChI: InChI=1S/C107H64N6O2/c1-2-19-69(20-3-1)100-108-103(113-105(112-100)80-59-77-23-16-21-68-22-17-24-78(60-80)99(68)77)72-47-40-66(41-48-72)75-53-57-94-98(63-75)115-97-62-74(52-56-93(97)107(94)89-32-12-8-28-85(89)86-29-9-13-33-90(86)107)65-38-45-71(46-39-65)102-109-101(110-104(111-102)79-50-54-82-76(58-79)49-42-67-18-4-5-25-81(67)82)70-43-36-64(37-44-70)73-51-55-92-96(61-73)114-95-35-15-14-34-91(95)106(92)87-30-10-6-26-83(87)84-27-7-11-31-88(84)106/h1-21,23-63H,22H2
• InChIKey: BGKCFGJAVCFGAP-UHFFFAOYSA-N
• XLogP: 26.03
• 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	26.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 146342991) is 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine is C1=Cc2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5cc(-c7ccc(-c8nc(-c9ccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9)nc(-c9ccc%10c(ccc%11ccccc%11%10)c9)n8)cc7)ccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc3cccc(c23)C1.

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

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

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

2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1465.73 g/mol, XLogP of 26.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).