6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline

C113H67N7O — CID 146343182

About 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline

6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline (PubChem CID 146343182) has the molecular formula C113H67N7O and a molecular weight of 1538.83 g/mol. Its IUPAC name is 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline
• PubChem CID: 146343182
• Molecular Formula: C113H67N7O
• Molecular Weight: 1538.83 g/mol
• Exact Mass: 1537.54
• IUPAC Name: 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6cc7ccc(-c8ccc9c(c8)C8(c%10ccccc%10Oc%10ccc(-c%11ccc%12ccc%13cccnc%13c%12n%11)cc%108)c8ccccc8-9)nc7c7ncccc67)c5)c4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C113H67N7O/c1-4-24-68(25-5-1)78-59-79(69-26-6-2-7-27-69)62-82(61-78)109-118-110(120-111(119-109)90-37-21-44-97-104(90)89-36-13-17-42-95(89)112(97)92-39-14-10-33-84(92)85-34-11-15-40-93(85)112)83-63-80(70-28-8-3-9-29-70)60-81(64-83)73-30-20-31-74(58-73)91-65-77-50-54-101(117-107(77)108-88(91)38-23-57-115-108)75-48-52-87-86-35-12-16-41-94(86)113(98(87)66-75)96-43-18-19-45-102(96)121-103-55-51-76(67-99(103)113)100-53-49-72-47-46-71-32-22-56-114-105(71)106(72)116-100/h1-67H
• InChIKey: ZIXXBCOLZQLDBI-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 99.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1538.83
LogP ≤ 5	27.55
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 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline?

The IUPAC name of 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline (CID 146343182) is 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline?

The canonical SMILES for 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6cc7ccc(-c8ccc9c(c8)C8(c%10ccccc%10Oc%10ccc(-c%11ccc%12ccc%13cccnc%13c%12n%11)cc%108)c8ccccc8-9)nc7c7ncccc67)c5)c4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.

What is the InChIKey of 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline?

The InChIKey is ZIXXBCOLZQLDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H67N7O/c1-4-24-68(25-5-1)78-59-79(69-26-6-2-7-27-69)62-82(61-78)109-118-110(120-111(119-109)90-37-21-44-97-104(90)89-36-13-17-42-95(89)112(97)92-39-14-10-33-84(92)85-34-11-15-40-93(85)112)83-63-80(70-28-8-3-9-29-70)60-81(64-83)73-30-20-31-74(58-73)91-65-77-50-54-101(117-107(77)108-88(91)38-23-57-115-108)75-48-52-87-86-35-12-16-41-94(86)113(98(87)66-75)96-43-18-19-45-102(96)121-103-55-51-76(67-99(103)113)100-53-49-72-47-46-71-32-22-56-114-105(71)106(72)116-100/h1-67H.

What are the key properties of 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline?

6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline has a molecular weight of 1538.83 g/mol, XLogP of 27.55, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-2-[2'-(1,10-phenanthrolin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 146343182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).