2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene

C63H83F9O3 — CID 145172655

IUPAC2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3-c3cc(OC(F)(F)F)cc(-c4cc(OC(F)(F)F)ccc4C4CCC(C5CCC(C)CC5)CC4)c3C3CCC(C4CCC(CC)CC4)CC3)CC2)CC1
InChIInChI=1S/C63H83F9O3/c1-4-6-41-11-17-44(18-12-41)46-21-27-49(28-22-46)55-34-32-52(74-62(67,68)69)36-57(55)59-38-53(75-63(70,71)72)37-58(60(59)50-29-23-47(24-30-50)43-15-9-40(5-2)10-16-43)56-35-51(73-61(64,65)66)31-33-54(56)48-25-19-45(20-26-48)42-13-7-39(3)8-14-42/h31-50H,4-30H2,1-3H3
InChIKeyDCSWTANWCMVBOK-UHFFFAOYSA-N
MW1059.34 g/mol
LogP21.19
Rot. Bonds14

About 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene

2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene (PubChem CID 145172655) has the molecular formula C63H83F9O3 and a molecular weight of 1059.34 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene
PubChem CID145172655
Molecular FormulaC63H83F9O3
Molecular Weight1059.34 g/mol
Exact Mass1058.62
IUPAC Name2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3-c3cc(OC(F)(F)F)cc(-c4cc(OC(F)(F)F)ccc4C4CCC(C5CCC(C)CC5)CC4)c3C3CCC(C4CCC(CC)CC4)CC3)CC2)CC1
InChIInChI=1S/C63H83F9O3/c1-4-6-41-11-17-44(18-12-41)46-21-27-49(28-22-46)55-34-32-52(74-62(67,68)69)36-57(55)59-38-53(75-63(70,71)72)37-58(60(59)50-29-23-47(24-30-50)43-15-9-40(5-2)10-16-43)56-35-51(73-61(64,65)66)31-33-54(56)48-25-19-45(20-26-48)42-13-7-39(3)8-14-42/h31-50H,4-30H2,1-3H3
InChIKeyDCSWTANWCMVBOK-UHFFFAOYSA-N
XLogP21.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.34
LogP ≤ 521.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene with MolForge

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Related Compounds

2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
1-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118592730
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
1-[1-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]-4-(trifluoromethoxy)benzene
CID 19767143
2-(4-hexylcyclohexyl)-1-phenyl-4-(trifluoromethoxy)benzene
CID 159707062
1-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118604522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene (CID 145172655) is 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene is CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3-c3cc(OC(F)(F)F)cc(-c4cc(OC(F)(F)F)ccc4C4CCC(C5CCC(C)CC5)CC4)c3C3CCC(C4CCC(CC)CC4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene?
The InChIKey is DCSWTANWCMVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H83F9O3/c1-4-6-41-11-17-44(18-12-41)46-21-27-49(28-22-46)55-34-32-52(74-62(67,68)69)36-57(55)59-38-53(75-63(70,71)72)37-58(60(59)50-29-23-47(24-30-50)43-15-9-40(5-2)10-16-43)56-35-51(73-61(64,65)66)31-33-54(56)48-25-19-45(20-26-48)42-13-7-39(3)8-14-42/h31-50H,4-30H2,1-3H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene?
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene has a molecular weight of 1059.34 g/mol, XLogP of 21.19, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)cyclohexyl]-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]-5-(trifluoromethoxy)phenyl]-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 145172655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).