1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]

C25H18N2 — CID 11791877

IUPAC1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]
SMILESc1ccc(N2C(c3cccnc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C25H18N2/c1-2-10-19(11-3-1)27-24(18-9-8-16-26-17-18)25(27)22-14-6-4-12-20(22)21-13-5-7-15-23(21)25/h1-17,24H
InChIKeyLIZYACWDORYUDT-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.57
Rot. Bonds2

About 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]

1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene] (PubChem CID 11791877) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene].

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]
PubChem CID11791877
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]
SMILESc1ccc(N2C(c3cccnc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C25H18N2/c1-2-10-19(11-3-1)27-24(18-9-8-16-26-17-18)25(27)22-14-6-4-12-20(22)21-13-5-7-15-23(21)25/h1-17,24H
InChIKeyLIZYACWDORYUDT-UHFFFAOYSA-N
XLogP5.57
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]?
The IUPAC name of 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene] (CID 11791877) is 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene].
What is the SMILES notation for 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]?
The canonical SMILES for 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene] is c1ccc(N2C(c3cccnc3)C23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]?
The InChIKey is LIZYACWDORYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-2-10-19(11-3-1)27-24(18-9-8-16-26-17-18)25(27)22-14-6-4-12-20(22)21-13-5-7-15-23(21)25/h1-17,24H.
What are the key properties of 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene]?
1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene] has a molecular weight of 346.43 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-ylspiro[aziridine-2,9'-fluorene] is sourced from PubChem (CID 11791877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).