[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol

C28H23NO — CID 5249581

IUPAC[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CN1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO/c30-28(20-11-3-1-4-12-20,21-13-5-2-6-14-21)26-19-29(26)27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27/h1-18,26-27,30H,19H2
InChIKeyQRUFJGBSSCNGDV-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.38
Rot. Bonds4

About [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol

[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol (PubChem CID 5249581) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol
PubChem CID5249581
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CN1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO/c30-28(20-11-3-1-4-12-20,21-13-5-2-6-14-21)26-19-29(26)27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27/h1-18,26-27,30H,19H2
InChIKeyQRUFJGBSSCNGDV-UHFFFAOYSA-N
XLogP5.38
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
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-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol?
The IUPAC name of [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol (CID 5249581) is [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol?
The canonical SMILES for [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CN1C1c2ccccc2-c2ccccc21.
What is the InChIKey of [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol?
The InChIKey is QRUFJGBSSCNGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c30-28(20-11-3-1-4-12-20,21-13-5-2-6-14-21)26-19-29(26)27-24-17-9-7-15-22(24)23-16-8-10-18-25(23)27/h1-18,26-27,30H,19H2.
What are the key properties of [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol?
[1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol has a molecular weight of 389.50 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-yl)aziridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 5249581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).