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

C25H18N2 — CID 15415866

IUPAC9,9'-spirobi[fluorene]-2,2'-diamine
SMILESNc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N)cc21
InChIInChI=1S/C25H18N2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H,26-27H2
InChIKeyGXXFPQGHCPOFSD-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.19
Rot. Bonds

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

9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 15415866) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID15415866
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name9,9'-spirobi[fluorene]-2,2'-diamine
SMILESNc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N)cc21
InChIInChI=1S/C25H18N2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H,26-27H2
InChIKeyGXXFPQGHCPOFSD-UHFFFAOYSA-N
XLogP5.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]-2,2'-diamine?
The IUPAC name of 9,9'-spirobi[fluorene]-2,2'-diamine (CID 15415866) is 9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 9,9'-spirobi[fluorene]-2,2'-diamine is Nc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(N)cc21.
What is the InChIKey of 9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is GXXFPQGHCPOFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c26-15-9-11-19-17-5-1-3-7-21(17)25(23(19)13-15)22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)25/h1-14H,26-27H2.
What are the key properties of 9,9'-spirobi[fluorene]-2,2'-diamine?
9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 346.43 g/mol, XLogP of 5.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 15415866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).