3-phenylspiro[azirine-2,9'-fluorene]

C20H13N — CID 1224108

IUPAC3-phenylspiro[azirine-2,9'-fluorene]
SMILESc1ccc(C2=NC23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C20H13N/c1-2-8-14(9-3-1)19-20(21-19)17-12-6-4-10-15(17)16-11-5-7-13-18(16)20/h1-13H
InChIKeyBOLIYAAGEVQMLU-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.41
Rot. Bonds1

About 3-phenylspiro[azirine-2,9'-fluorene]

3-phenylspiro[azirine-2,9'-fluorene] (PubChem CID 1224108) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-phenylspiro[azirine-2,9'-fluorene].

Molecular Properties

Compound Name3-phenylspiro[azirine-2,9'-fluorene]
PubChem CID1224108
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name3-phenylspiro[azirine-2,9'-fluorene]
SMILESc1ccc(C2=NC23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C20H13N/c1-2-8-14(9-3-1)19-20(21-19)17-12-6-4-10-15(17)16-11-5-7-13-18(16)20/h1-13H
InChIKeyBOLIYAAGEVQMLU-UHFFFAOYSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[azirine-2,9'-fluorene]?
The IUPAC name of 3-phenylspiro[azirine-2,9'-fluorene] (CID 1224108) is 3-phenylspiro[azirine-2,9'-fluorene].
What is the SMILES notation for 3-phenylspiro[azirine-2,9'-fluorene]?
The canonical SMILES for 3-phenylspiro[azirine-2,9'-fluorene] is c1ccc(C2=NC23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 3-phenylspiro[azirine-2,9'-fluorene]?
The InChIKey is BOLIYAAGEVQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c1-2-8-14(9-3-1)19-20(21-19)17-12-6-4-10-15(17)16-11-5-7-13-18(16)20/h1-13H.
What are the key properties of 3-phenylspiro[azirine-2,9'-fluorene]?
3-phenylspiro[azirine-2,9'-fluorene] has a molecular weight of 267.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[azirine-2,9'-fluorene] is sourced from PubChem (CID 1224108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).