9,9'-spirobi[fluorene]-2-amine

C25H17N — CID 58850838

IUPAC9,9'-spirobi[fluorene]-2-amine
SMILESNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H17N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H,26H2
InChIKeyUCFDALUXSMNRHK-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.61
Rot. Bonds

About 9,9'-spirobi[fluorene]-2-amine

9,9'-spirobi[fluorene]-2-amine (PubChem CID 58850838) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-2-amine
PubChem CID58850838
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name9,9'-spirobi[fluorene]-2-amine
SMILESNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H17N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H,26H2
InChIKeyUCFDALUXSMNRHK-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 9,9'-spirobi[fluorene]-2-amine (CID 58850838) is 9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 9,9'-spirobi[fluorene]-2-amine is Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UCFDALUXSMNRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H,26H2.
What are the key properties of 9,9'-spirobi[fluorene]-2-amine?
9,9'-spirobi[fluorene]-2-amine has a molecular weight of 331.42 g/mol, XLogP of 5.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 58850838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).