CID 23364846

C28H37ClFSi — CID 23364846

IUPAC—
SMILESCCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C28H37ClFSi/c1-2-17-31-18-15-22(16-19-31)4-3-21-5-7-23(8-6-21)25-11-14-27(28(30)20-25)24-9-12-26(29)13-10-24/h9-14,20-23H,2-8,15-19H2,1H3
InChIKeyMNBXAELPYHQXOL-UHFFFAOYSA-N
MW456.14 g/mol
LogP9.51
Rot. Bonds7

About CID 23364846

CID 23364846 (PubChem CID 23364846) has the molecular formula C28H37ClFSi and a molecular weight of 456.14 g/mol.

Molecular Properties

Compound NameCID 23364846
PubChem CID23364846
Molecular FormulaC28H37ClFSi
Molecular Weight456.14 g/mol
Exact Mass455.23
IUPAC Name—
SMILESCCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)CC1
InChIInChI=1S/C28H37ClFSi/c1-2-17-31-18-15-22(16-19-31)4-3-21-5-7-23(8-6-21)25-11-14-27(28(30)20-25)24-9-12-26(29)13-10-24/h9-14,20-23H,2-8,15-19H2,1H3
InChIKeyMNBXAELPYHQXOL-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.14
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 23364846 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 19080554
CID 19080554
CID 22924529
CID 22924529
CID 19609422
CID 19609422
CID 19080569
CID 19080569
CID 19609431
CID 19609431
CID 22913655
CID 22913655
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
CID 23364814
CID 23364814
CID 23364743
CID 23364743
CID 22924588
CID 22924588

Frequently Asked Questions

What is the IUPAC name of CID 23364846?
The IUPAC name of CID 23364846 (CID 23364846) is not available.
What is the SMILES notation for CID 23364846?
The canonical SMILES for CID 23364846 is CCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(Cl)cc4)c(F)c3)CC2)CC1.
What is the InChIKey of CID 23364846?
The InChIKey is MNBXAELPYHQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClFSi/c1-2-17-31-18-15-22(16-19-31)4-3-21-5-7-23(8-6-21)25-11-14-27(28(30)20-25)24-9-12-26(29)13-10-24/h9-14,20-23H,2-8,15-19H2,1H3.
What are the key properties of CID 23364846?
CID 23364846 has a molecular weight of 456.14 g/mol, XLogP of 9.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23364846 is sourced from PubChem (CID 23364846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).