10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]

C31H20N2O2 — CID 143268859

IUPAC10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
SMILESO=[N+]([O-])c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C31H20N2O2/c34-33(35)22-19-17-21(18-20-22)32-29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)32)25-11-3-1-9-23(25)24-10-2-4-12-26(24)31/h1-20H
InChIKeyPDYRGRUZHCXZAA-UHFFFAOYSA-N
MW452.51 g/mol
LogP7.74
Rot. Bonds2

About 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]

10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene] (PubChem CID 143268859) has the molecular formula C31H20N2O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
PubChem CID143268859
Molecular FormulaC31H20N2O2
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC Name10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
SMILESO=[N+]([O-])c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C31H20N2O2/c34-33(35)22-19-17-21(18-20-22)32-29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)32)25-11-3-1-9-23(25)24-10-2-4-12-26(24)31/h1-20H
InChIKeyPDYRGRUZHCXZAA-UHFFFAOYSA-N
XLogP7.74
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene] (CID 143268859) is 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene] is O=[N+]([O-])c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]?
The InChIKey is PDYRGRUZHCXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O2/c34-33(35)22-19-17-21(18-20-22)32-29-15-7-5-13-27(29)31(28-14-6-8-16-30(28)32)25-11-3-1-9-23(25)24-10-2-4-12-26(24)31/h1-20H.
What are the key properties of 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]?
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene] has a molecular weight of 452.51 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 143268859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).