[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol

C25H23NO — CID 11110983

IUPAC[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol
SMILESOCC1=CC[C@H](NC2(c3ccccc3)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H23NO/c27-17-18-14-15-20(16-18)26-25(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-14,20,26-27H,15-17H2/t20-/m0/s1
InChIKeyCSNKFFDOFCNVGZ-FQEVSTJZSA-N
MW353.47 g/mol
LogP4.63
Rot. Bonds4

About [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol

[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol (PubChem CID 11110983) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol
PubChem CID11110983
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol
SMILESOCC1=CC[C@H](NC2(c3ccccc3)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H23NO/c27-17-18-14-15-20(16-18)26-25(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-14,20,26-27H,15-17H2/t20-/m0/s1
InChIKeyCSNKFFDOFCNVGZ-FQEVSTJZSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol?
The IUPAC name of [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol (CID 11110983) is [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol.
What is the SMILES notation for [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol?
The canonical SMILES for [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol is OCC1=CC[C@H](NC2(c3ccccc3)c3ccccc3-c3ccccc32)C1.
What is the InChIKey of [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol?
The InChIKey is CSNKFFDOFCNVGZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23NO/c27-17-18-14-15-20(16-18)26-25(19-8-2-1-3-9-19)23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-14,20,26-27H,15-17H2/t20-/m0/s1.
What are the key properties of [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol?
[(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol has a molecular weight of 353.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(9-phenylfluoren-9-yl)amino]cyclopenten-1-yl]methanol is sourced from PubChem (CID 11110983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).