10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]

C81H50N2 — CID 153288548

About 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]

10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 153288548) has the molecular formula C81H50N2 and a molecular weight of 1051.31 g/mol. Its IUPAC name is 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 153288548
• Molecular Formula: C81H50N2
• Molecular Weight: 1051.31 g/mol
• Exact Mass: 1050.40
• IUPAC Name: 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc3c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)nc4)c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c3c2)cc1
• InChI: InChI=1S/C81H50N2/c1-3-21-51(22-4-1)52-39-44-64-66(47-52)78(54-41-45-71-65(48-54)60-28-12-16-34-70(60)81(71)72-35-17-19-37-76(72)83(56-23-5-2-6-24-56)77-38-20-18-36-73(77)81)62-29-7-8-30-63(62)79(64)55-42-46-75(82-50-55)53-40-43-61-59-27-11-15-33-69(59)80(74(61)49-53)67-31-13-9-25-57(67)58-26-10-14-32-68(58)80/h1-50H
• InChIKey: UCELPOOPDNPWOO-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.31
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene] (CID 153288548) is 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc3c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)nc4)c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5N(c5ccccc5)c5ccccc54)c3c2)cc1.

What is the InChIKey of 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]?

The InChIKey is UCELPOOPDNPWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N2/c1-3-21-51(22-4-1)52-39-44-64-66(47-52)78(54-41-45-71-65(48-54)60-28-12-16-34-70(60)81(71)72-35-17-19-37-76(72)83(56-23-5-2-6-24-56)77-38-20-18-36-73(77)81)62-29-7-8-30-63(62)79(64)55-42-46-75(82-50-55)53-40-43-61-59-27-11-15-33-69(59)80(74(61)49-53)67-31-13-9-25-57(67)58-26-10-14-32-68(58)80/h1-50H.

What are the key properties of 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene]?

10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1051.31 g/mol, XLogP of 20.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3'-[2-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-9-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 153288548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).