CID 22924554

C23H27FNSi — CID 22924554

IUPAC—
SMILESCCCCCC1CC[Si](c2ccc(-c3ccc(C#N)cc3F)cc2)CC1
InChIInChI=1S/C23H27FNSi/c1-2-3-4-5-18-12-14-26(15-13-18)21-9-7-20(8-10-21)22-11-6-19(17-25)16-23(22)24/h6-11,16,18H,2-5,12-15H2,1H3
InChIKeyHATYQFYLCKUVQF-UHFFFAOYSA-N
MW364.56 g/mol
LogP6.06
Rot. Bonds6

About CID 22924554

CID 22924554 (PubChem CID 22924554) has the molecular formula C23H27FNSi and a molecular weight of 364.56 g/mol.

Molecular Properties

Compound NameCID 22924554
PubChem CID22924554
Molecular FormulaC23H27FNSi
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Name—
SMILESCCCCCC1CC[Si](c2ccc(-c3ccc(C#N)cc3F)cc2)CC1
InChIInChI=1S/C23H27FNSi/c1-2-3-4-5-18-12-14-26(15-13-18)21-9-7-20(8-10-21)22-11-6-19(17-25)16-23(22)24/h6-11,16,18H,2-5,12-15H2,1H3
InChIKeyHATYQFYLCKUVQF-UHFFFAOYSA-N
XLogP6.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 67579530
CID 67579530
1-(4-butylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 57113325
[2,6-difluoro-4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]phenyl] thiocyanate
CID 167217972
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
4-[4-[[2,6-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]benzonitrile
CID 59328707
4-[2-(4-butylcyclohexyl)ethyl]-3-fluorobenzonitrile;4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorobenzonitrile;3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzonitrile;3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzonitrile
CID 173399906
4-[4-[2-(4-ethylcyclohexen-1-yl)ethynyl]phenyl]-3-fluorobenzonitrile
CID 19984622
CID 19609431
CID 19609431
2-fluoro-1-(4-penta-1,3-diynylphenyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 118631812
2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
CID 67791114
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
2-fluoro-1-[4-[2-(4-pentylcyclohexen-1-yl)ethynyl]phenyl]-4-propylbenzene
CID 19983727

Frequently Asked Questions

What is the IUPAC name of CID 22924554?
The IUPAC name of CID 22924554 (CID 22924554) is not available.
What is the SMILES notation for CID 22924554?
The canonical SMILES for CID 22924554 is CCCCCC1CC[Si](c2ccc(-c3ccc(C#N)cc3F)cc2)CC1.
What is the InChIKey of CID 22924554?
The InChIKey is HATYQFYLCKUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FNSi/c1-2-3-4-5-18-12-14-26(15-13-18)21-9-7-20(8-10-21)22-11-6-19(17-25)16-23(22)24/h6-11,16,18H,2-5,12-15H2,1H3.
What are the key properties of CID 22924554?
CID 22924554 has a molecular weight of 364.56 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22924554 is sourced from PubChem (CID 22924554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).