1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene

C80H130F4O — CID 154489058

IUPAC1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene
SMILESCCCCCCCC1CCC(C2CCC(CCc3c(CC4CCC(CCCCCC)CC4)cc(Oc4cc(CC5CCC(CCCCCC)CC5)c(CCC5CCC(C6CCC(CCCCCCC)CC6)CC5)c(F)c4F)c(F)c3F)CC2)CC1
InChIInChI=1S/C80H130F4O/c1-5-9-13-17-21-25-61-35-45-67(46-36-61)69-49-39-63(40-50-69)43-53-73-71(55-65-31-27-59(28-32-65)23-19-15-11-7-3)57-75(79(83)77(73)81)85-76-58-72(56-66-33-29-60(30-34-66)24-20-16-12-8-4)74(78(82)80(76)84)54-44-64-41-51-70(52-42-64)68-47-37-62(38-48-68)26-22-18-14-10-6-2/h57-70H,5-56H2,1-4H3
InChIKeyWFYVZGLLEBIJCA-UHFFFAOYSA-N
MW1183.91 g/mol
LogP26.49
Rot. Bonds36

About 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene

1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene (PubChem CID 154489058) has the molecular formula C80H130F4O and a molecular weight of 1183.91 g/mol. Its IUPAC name is 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene
PubChem CID154489058
Molecular FormulaC80H130F4O
Molecular Weight1183.91 g/mol
Exact Mass1183.01
IUPAC Name1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene
SMILESCCCCCCCC1CCC(C2CCC(CCc3c(CC4CCC(CCCCCC)CC4)cc(Oc4cc(CC5CCC(CCCCCC)CC5)c(CCC5CCC(C6CCC(CCCCCCC)CC6)CC5)c(F)c4F)c(F)c3F)CC2)CC1
InChIInChI=1S/C80H130F4O/c1-5-9-13-17-21-25-61-35-45-67(46-36-61)69-49-39-63(40-50-69)43-53-73-71(55-65-31-27-59(28-32-65)23-19-15-11-7-3)57-75(79(83)77(73)81)85-76-58-72(56-66-33-29-60(30-34-66)24-20-16-12-8-4)74(78(82)80(76)84)54-44-64-41-51-70(52-42-64)68-47-37-62(38-48-68)26-22-18-14-10-6-2/h57-70H,5-56H2,1-4H3
InChIKeyWFYVZGLLEBIJCA-UHFFFAOYSA-N
XLogP26.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.91
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene 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

1-[(4-ethylcyclohexyl)methyl]-5-[5-[(4-ethylcyclohexyl)methyl]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]phenoxy]-3,4-difluoro-2-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 154489055
1-ethoxy-2-fluoro-5-methyl-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 59592268
1-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-4-(difluoromethoxy)-2,3-difluorobenzene
CID 18658955
1-(difluoromethoxy)-2,3-difluoro-4-[2-[4-(4-nonylcyclohexyl)cyclohexyl]ethyl]benzene
CID 18658960
1,2,4,5-tetrafluoro-3-heptoxy-6-[2,3,5,6-tetrafluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 102586148
1-decoxy-2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 102586151
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
2,3-difluoro-4-heptyl-1-methoxy-5-(4-pentylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-pentyl-5-(4-pentylcyclohexyl)benzene
CID 88609734
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-ethoxy-5-methyl-4-[2-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]ethyl]-2,3-bis(trifluoromethyl)benzene
CID 59592309

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene?
The IUPAC name of 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene (CID 154489058) is 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene is CCCCCCCC1CCC(C2CCC(CCc3c(CC4CCC(CCCCCC)CC4)cc(Oc4cc(CC5CCC(CCCCCC)CC5)c(CCC5CCC(C6CCC(CCCCCCC)CC6)CC5)c(F)c4F)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene?
The InChIKey is WFYVZGLLEBIJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H130F4O/c1-5-9-13-17-21-25-61-35-45-67(46-36-61)69-49-39-63(40-50-69)43-53-73-71(55-65-31-27-59(28-32-65)23-19-15-11-7-3)57-75(79(83)77(73)81)85-76-58-72(56-66-33-29-60(30-34-66)24-20-16-12-8-4)74(78(82)80(76)84)54-44-64-41-51-70(52-42-64)68-47-37-62(38-48-68)26-22-18-14-10-6-2/h57-70H,5-56H2,1-4H3.
What are the key properties of 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene?
1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene has a molecular weight of 1183.91 g/mol, XLogP of 26.49, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]phenoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]-5-[(4-hexylcyclohexyl)methyl]benzene is sourced from PubChem (CID 154489058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).