[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane

C26H35FSi — CID 137329327

IUPAC[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC(C[SiH3])CC4)CC3)cc2F)cc1
InChIInChI=1S/C26H35FSi/c1-18-2-6-23(7-3-18)25-15-14-24(16-26(25)27)22-12-10-21(11-13-22)20-8-4-19(17-28)5-9-20/h2-3,6-7,14-16,19-22H,4-5,8-13,17H2,1,28H3
InChIKeyVWYHHVGVPINZGJ-UHFFFAOYSA-N
MW394.65 g/mol
LogP6.67
Rot. Bonds4

About [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane

[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane (PubChem CID 137329327) has the molecular formula C26H35FSi and a molecular weight of 394.65 g/mol. Its IUPAC name is [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane.

Molecular Properties

Compound Name[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane
PubChem CID137329327
Molecular FormulaC26H35FSi
Molecular Weight394.65 g/mol
Exact Mass394.25
IUPAC Name[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC(C[SiH3])CC4)CC3)cc2F)cc1
InChIInChI=1S/C26H35FSi/c1-18-2-6-23(7-3-18)25-15-14-24(16-26(25)27)22-12-10-21(11-13-22)20-8-4-19(17-28)5-9-20/h2-3,6-7,14-16,19-22H,4-5,8-13,17H2,1,28H3
InChIKeyVWYHHVGVPINZGJ-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.65
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-fluoro-4-methylphenyl)cyclohexyl]methylsilane
CID 137329605
[4-[4-(4-methylphenyl)phenyl]cyclohexyl]methylsilane
CID 123942923
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
4-[4-(bromomethyl)cyclohexyl]-2-fluoro-1-(4-fluorophenyl)benzene
CID 23364832
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
2-[3-fluoro-4-(4-methylphenyl)phenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868059
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane?
The IUPAC name of [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane (CID 137329327) is [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane.
What is the SMILES notation for [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane?
The canonical SMILES for [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane is Cc1ccc(-c2ccc(C3CCC(C4CCC(C[SiH3])CC4)CC3)cc2F)cc1.
What is the InChIKey of [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane?
The InChIKey is VWYHHVGVPINZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FSi/c1-18-2-6-23(7-3-18)25-15-14-24(16-26(25)27)22-12-10-21(11-13-22)20-8-4-19(17-28)5-9-20/h2-3,6-7,14-16,19-22H,4-5,8-13,17H2,1,28H3.
What are the key properties of [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane?
[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane has a molecular weight of 394.65 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane is sourced from PubChem (CID 137329327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).