fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium

C23H27FN2Y-2 — CID 58195933

IUPACfluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium
SMILESFc1cc[c-]cc1.[CH2-]CCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3.[Y]
InChIInChI=1S/C17H23N2.C6H4F.Y/c1-2-9-18-11-8-16-15(12-18)14-7-3-5-13-6-4-10-19(16)17(13)14;7-6-4-2-1-3-5-6;/h3,5,7,15-16H,1-2,4,6,8-12H2;2-5H;/q2*-1;/t15-,16-;;/m0../s1
InChIKeyLLFIZVYVBLXSCP-SXBSVMRRSA-N
MW439.39 g/mol
LogP4.46
Rot. Bonds2

About fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium

fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium (PubChem CID 58195933) has the molecular formula C23H27FN2Y-2 and a molecular weight of 439.39 g/mol. Its IUPAC name is fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium.

Molecular Properties

Compound Namefluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium
PubChem CID58195933
Molecular FormulaC23H27FN2Y-2
Molecular Weight439.39 g/mol
Exact Mass439.12
IUPAC Namefluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium
SMILESFc1cc[c-]cc1.[CH2-]CCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3.[Y]
InChIInChI=1S/C17H23N2.C6H4F.Y/c1-2-9-18-11-8-16-15(12-18)14-7-3-5-13-6-4-10-19(16)17(13)14;7-6-4-2-1-3-5-6;/h3,5,7,15-16H,1-2,4,6,8-12H2;2-5H;/q2*-1;/t15-,16-;;/m0../s1
InChIKeyLLFIZVYVBLXSCP-SXBSVMRRSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium?
The IUPAC name of fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium (CID 58195933) is fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium.
What is the SMILES notation for fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium?
The canonical SMILES for fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium is Fc1cc[c-]cc1.[CH2-]CCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3.[Y].
What is the InChIKey of fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium?
The InChIKey is LLFIZVYVBLXSCP-SXBSVMRRSA-N. The full InChI is InChI=1S/C17H23N2.C6H4F.Y/c1-2-9-18-11-8-16-15(12-18)14-7-3-5-13-6-4-10-19(16)17(13)14;7-6-4-2-1-3-5-6;/h3,5,7,15-16H,1-2,4,6,8-12H2;2-5H;/q2*-1;/t15-,16-;;/m0../s1.
What are the key properties of fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium?
fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium has a molecular weight of 439.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;(10R,15S)-12-propyl-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene;yttrium is sourced from PubChem (CID 58195933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).