2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]

C60H38N2O2 — CID 143268755

About 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]

2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene] (PubChem CID 143268755) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]
• PubChem CID: 143268755
• Molecular Formula: C60H38N2O2
• Molecular Weight: 818.98 g/mol
• Exact Mass: 818.29
• IUPAC Name: 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]
• SMILES: O=[N+]([O-])c1cccc(N2c3ccccc3C3(c4cc(Cc5c6ccccc6cc6ccccc56)ccc4-c4ccc(-c5c6ccccc6cc6ccccc56)cc43)c3ccccc32)c1
• InChI: InChI=1S/C60H38N2O2/c63-62(64)45-19-13-18-44(37-45)61-57-26-11-9-24-53(57)60(54-25-10-12-27-58(54)61)55-33-38(32-52-46-20-5-1-14-39(46)34-40-15-2-6-21-47(40)52)28-30-50(55)51-31-29-43(36-56(51)60)59-48-22-7-3-16-41(48)35-42-17-4-8-23-49(42)59/h1-31,33-37H,32H2
• InChIKey: QPLFWYAUNHWRHY-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 46.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.98
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]?

The IUPAC name of 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene] (CID 143268755) is 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene].

What is the SMILES notation for 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]?

The canonical SMILES for 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene] is O=[N+]([O-])c1cccc(N2c3ccccc3C3(c4cc(Cc5c6ccccc6cc6ccccc56)ccc4-c4ccc(-c5c6ccccc6cc6ccccc56)cc43)c3ccccc32)c1.

What is the InChIKey of 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]?

The InChIKey is QPLFWYAUNHWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c63-62(64)45-19-13-18-44(37-45)61-57-26-11-9-24-53(57)60(54-25-10-12-27-58(54)61)55-33-38(32-52-46-20-5-1-14-39(46)34-40-15-2-6-21-47(40)52)28-30-50(55)51-31-29-43(36-56(51)60)59-48-22-7-3-16-41(48)35-42-17-4-8-23-49(42)59/h1-31,33-37H,32H2.

What are the key properties of 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene]?

2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene] has a molecular weight of 818.98 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-anthracen-9-yl-7'-(anthracen-9-ylmethyl)-10-(3-nitrophenyl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 143268755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).