3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine

C30H33F2N — CID 135002722

IUPAC3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(C3CCCCC3)cc2CC2CCCCC2)cc1
InChIInChI=1S/C30H33F2N/c31-26-15-11-23(12-16-26)29-25(19-21-7-3-1-4-8-21)20-28(22-9-5-2-6-10-22)30(33-29)24-13-17-27(32)18-14-24/h11-18,20-22H,1-10,19H2
InChIKeyWHNXAZYFEHSJFH-UHFFFAOYSA-N
MW445.60 g/mol
LogP8.86
Rot. Bonds5

About 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine

3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine (PubChem CID 135002722) has the molecular formula C30H33F2N and a molecular weight of 445.60 g/mol. Its IUPAC name is 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine
PubChem CID135002722
Molecular FormulaC30H33F2N
Molecular Weight445.60 g/mol
Exact Mass445.26
IUPAC Name3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)c(C3CCCCC3)cc2CC2CCCCC2)cc1
InChIInChI=1S/C30H33F2N/c31-26-15-11-23(12-16-26)29-25(19-21-7-3-1-4-8-21)20-28(22-9-5-2-6-10-22)30(33-29)24-13-17-27(32)18-14-24/h11-18,20-22H,1-10,19H2
InChIKeyWHNXAZYFEHSJFH-UHFFFAOYSA-N
XLogP8.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine?
The IUPAC name of 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine (CID 135002722) is 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine.
What is the SMILES notation for 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine?
The canonical SMILES for 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine is Fc1ccc(-c2nc(-c3ccc(F)cc3)c(C3CCCCC3)cc2CC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine?
The InChIKey is WHNXAZYFEHSJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N/c31-26-15-11-23(12-16-26)29-25(19-21-7-3-1-4-8-21)20-28(22-9-5-2-6-10-22)30(33-29)24-13-17-27(32)18-14-24/h11-18,20-22H,1-10,19H2.
What are the key properties of 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine?
3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine has a molecular weight of 445.60 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(cyclohexylmethyl)-2,6-bis(4-fluorophenyl)pyridine is sourced from PubChem (CID 135002722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).