CID 23364777

C30H40F3Si — CID 23364777

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(CCc3cc(F)c(-c4ccc(F)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C30H40F3Si/c1-2-3-4-17-34-18-15-25(16-19-34)24-9-7-22(8-10-24)5-6-23-20-28(32)30(29(33)21-23)26-11-13-27(31)14-12-26/h11-14,20-22,24-25H,2-10,15-19H2,1H3
InChIKeyJEXJUAIOJAAOGT-UHFFFAOYSA-N
MW485.73 g/mol
LogP9.60
Rot. Bonds9

About CID 23364777

CID 23364777 (PubChem CID 23364777) has the molecular formula C30H40F3Si and a molecular weight of 485.73 g/mol.

Molecular Properties

Compound NameCID 23364777
PubChem CID23364777
Molecular FormulaC30H40F3Si
Molecular Weight485.73 g/mol
Exact Mass485.29
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(CCc3cc(F)c(-c4ccc(F)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C30H40F3Si/c1-2-3-4-17-34-18-15-25(16-19-34)24-9-7-22(8-10-24)5-6-23-20-28(32)30(29(33)21-23)26-11-13-27(31)14-12-26/h11-14,20-22,24-25H,2-10,15-19H2,1H3
InChIKeyJEXJUAIOJAAOGT-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.73
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 23364777 with MolForge

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

Launch Full Analysis

Related Compounds

CID 23364708
CID 23364708
CID 23364828
CID 23364828
CID 19419990
CID 19419990
CID 23364825
CID 23364825
CID 22913907
CID 22913907
CID 23364743
CID 23364743
CID 22913746
CID 22913746
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
1,3-difluoro-5-[(4-pentylcyclohexyl)methyl]-2-[4-(trifluoromethyl)phenyl]benzene
CID 139696588
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290

Frequently Asked Questions

What is the IUPAC name of CID 23364777?
The IUPAC name of CID 23364777 (CID 23364777) is not available.
What is the SMILES notation for CID 23364777?
The canonical SMILES for CID 23364777 is CCCCC[Si]1CCC(C2CCC(CCc3cc(F)c(-c4ccc(F)cc4)c(F)c3)CC2)CC1.
What is the InChIKey of CID 23364777?
The InChIKey is JEXJUAIOJAAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3Si/c1-2-3-4-17-34-18-15-25(16-19-34)24-9-7-22(8-10-24)5-6-23-20-28(32)30(29(33)21-23)26-11-13-27(31)14-12-26/h11-14,20-22,24-25H,2-10,15-19H2,1H3.
What are the key properties of CID 23364777?
CID 23364777 has a molecular weight of 485.73 g/mol, XLogP of 9.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23364777 is sourced from PubChem (CID 23364777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).