10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]

C56H36N2 — CID 142353689

About 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]

10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene] (PubChem CID 142353689) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 142353689
• Molecular Formula: C56H36N2
• Molecular Weight: 736.92 g/mol
• Exact Mass: 736.29
• IUPAC Name: 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cn3)c3ccccc23)cc1
• InChI: InChI=1S/C56H36N2/c1-3-18-37(19-4-1)53-42-23-7-9-25-44(42)54(45-26-10-8-24-43(45)53)50-35-34-38(36-57-50)40-27-17-28-46-41-22-11-12-29-47(41)56(55(40)46)48-30-13-15-32-51(48)58(39-20-5-2-6-21-39)52-33-16-14-31-49(52)56/h1-36H
• InChIKey: VJKTZIKPDAJDOK-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.92
LogP ≤ 5	14.54
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-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]?

The IUPAC name of 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene] (CID 142353689) is 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cn3)c3ccccc23)cc1.

What is the InChIKey of 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]?

The InChIKey is VJKTZIKPDAJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-18-37(19-4-1)53-42-23-7-9-25-44(42)54(45-26-10-8-24-43(45)53)50-35-34-38(36-57-50)40-27-17-28-46-41-22-11-12-29-47(41)56(55(40)46)48-30-13-15-32-51(48)58(39-20-5-2-6-21-39)52-33-16-14-31-49(52)56/h1-36H.

What are the key properties of 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]?

10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 736.92 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 142353689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).