pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate

C244H505F5O23 — CID 157328784

IUPACpentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate
SMILESCC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)C(F)C3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/3C26H45F.C26H46.2C20H35F.5C20H36.23H2O.14H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;2*1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;2*1-14-3-7-16(8-4-14)18-11-12-19(20(21)13-18)17-9-5-15(2)6-10-17;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*18-26H,3-17H2,1-2H3;19-26H,3-18H2,1-2H3;2*14-20H,3-13H2,1-2H3;5*15-20H,3-14H2,1-2H3;23*1H2;14*1H
InChIKeyRCVSKTJRSFPCPW-UHFFFAOYSA-N
MW3902.69 g/mol
LogP62.34
Rot. Bonds26

About pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate

pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate (PubChem CID 157328784) has the molecular formula C244H505F5O23 and a molecular weight of 3902.69 g/mol. Its IUPAC name is pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate.

Molecular Properties

Compound Namepentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate
PubChem CID157328784
Molecular FormulaC244H505F5O23
Molecular Weight3902.69 g/mol
Exact Mass3899.83
IUPAC Namepentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate
SMILESCC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)C(F)C3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/3C26H45F.C26H46.2C20H35F.5C20H36.23H2O.14H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;2*1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;2*1-14-3-7-16(8-4-14)18-11-12-19(20(21)13-18)17-9-5-15(2)6-10-17;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*18-26H,3-17H2,1-2H3;19-26H,3-18H2,1-2H3;2*14-20H,3-13H2,1-2H3;5*15-20H,3-14H2,1-2H3;23*1H2;14*1H
InChIKeyRCVSKTJRSFPCPW-UHFFFAOYSA-N
XLogP62.34
TPSA724.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms272
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003902.69
LogP ≤ 562.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate?
The IUPAC name of pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate (CID 157328784) is pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate.
What is the SMILES notation for pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate?
The canonical SMILES for pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate is CC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)C(F)C3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3F)CC2)CC1.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate?
The InChIKey is RCVSKTJRSFPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H45F.C26H46.2C20H35F.5C20H36.23H2O.14H2/c1-18-3-7-20(8-4-18)21-11-13-22(14-12-21)24-15-16-25(26(27)17-24)23-9-5-19(2)6-10-23;2*1-18-3-7-20(8-4-18)21-11-13-23(14-12-21)25-16-15-24(17-26(25)27)22-9-5-19(2)6-10-22;1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;2*1-14-3-7-16(8-4-14)18-11-12-19(20(21)13-18)17-9-5-15(2)6-10-17;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*18-26H,3-17H2,1-2H3;19-26H,3-18H2,1-2H3;2*14-20H,3-13H2,1-2H3;5*15-20H,3-14H2,1-2H3;23*1H2;14*1H.
What are the key properties of pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate?
pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate has a molecular weight of 3902.69 g/mol, XLogP of 62.34, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(1,4-bis(4-methylcyclohexyl)cyclohexane);bis(2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane);2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;bis(2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;molecular hydrogen;tricosahydrate is sourced from PubChem (CID 157328784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).