CID 159428515

C192H183F7Rb110 — CID 159428515

IUPAC—
SMILESCC1CCC(c2ccc(-c3cc[c-]c(F)c3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3F)cc2)CC1.CC1CCC(c2ccc(CCc3cc[c-]cc3)cc2)CC1.Cc1ccc(-c2ccc(-c3cc[c-]c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3F)cc2)cc1.[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb]
InChIInChI=1S/C21H25.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H21.C19H15.110Rb/c1-17-7-13-20(14-8-17)21-15-11-19(12-16-21)10-9-18-5-3-2-4-6-18;2*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18;2*1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20;2*1-14-7-9-15(10-8-14)17-11-12-18(19(20)13-17)16-5-3-2-4-6-16;1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15;2*1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,11-12,15-17,20H,7-10,13-14H2,1H3;2-3,9-15H,5-8H2,1H3;2-3,5-13H,1H3;2,4-5,10-15H,6-9H2,1H3;2,4-13H,1H3;3-6,11-15H,7-10H2,1H3;3-13H,1H3;3-6,11-14,16H,7-10H2,1H3;3-6,11-15,17H,7-10H2,1H3;3-14H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1
InChIKeyNBMWKYGKLHUSMD-UHFFFAOYSA-N
MW12025.04 g/mol
LogP-13.75
Rot. Bonds22

About CID 159428515

CID 159428515 (PubChem CID 159428515) has the molecular formula C192H183F7Rb110 and a molecular weight of 12025.04 g/mol.

Molecular Properties

Compound NameCID 159428515
PubChem CID159428515
Molecular FormulaC192H183F7Rb110
Molecular Weight12025.04 g/mol
Exact Mass11961.72
IUPAC Name—
SMILESCC1CCC(c2ccc(-c3cc[c-]c(F)c3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3F)cc2)CC1.CC1CCC(c2ccc(CCc3cc[c-]cc3)cc2)CC1.Cc1ccc(-c2ccc(-c3cc[c-]c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3F)cc2)cc1.[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb]
InChIInChI=1S/C21H25.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H21.C19H15.110Rb/c1-17-7-13-20(14-8-17)21-15-11-19(12-16-21)10-9-18-5-3-2-4-6-18;2*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18;2*1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20;2*1-14-7-9-15(10-8-14)17-11-12-18(19(20)13-17)16-5-3-2-4-6-16;1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15;2*1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,11-12,15-17,20H,7-10,13-14H2,1H3;2-3,9-15H,5-8H2,1H3;2-3,5-13H,1H3;2,4-5,10-15H,6-9H2,1H3;2,4-13H,1H3;3-6,11-15H,7-10H2,1H3;3-13H,1H3;3-6,11-14,16H,7-10H2,1H3;3-6,11-15,17H,7-10H2,1H3;3-14H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1
InChIKeyNBMWKYGKLHUSMD-UHFFFAOYSA-N
XLogP-13.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms309
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 50012025.04
LogP ≤ 5-13.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-(4-methylcyclohexyl)-4-phenylbenzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)butyl]phenyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;yttrium
CID 162240093
1-(4-but-3-enylphenyl)-2-fluoro-4-(4-methylcyclohexyl)benzene
CID 139749319
1-cyclohexyl-4-methylcyclohexane;1-cyclohexyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-phenylbenzene;4-(4-methylcyclohexyl)phenol;tetrakis(yttrium)
CID 161196421
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 59931336
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene-2-ide;1,3-difluoro-5-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene-2-ide;1-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]methoxy]-3,5-difluorobenzene-4-ide;1-[difluoro-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]methoxy]-3-fluorobenzene-4-ide;1-[difluoro(phenoxy)methyl]-2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-[difluoro(phenoxy)methyl]-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-fluoro-3-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene-6-ide;1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;nonakis(yttrium)
CID 161473429
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-phenylbenzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene;yttrium
CID 158286430
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
2-fluoro-4-(4-methylcyclohexyl)-1-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 139749385

Frequently Asked Questions

What is the IUPAC name of CID 159428515?
The IUPAC name of CID 159428515 (CID 159428515) is not available.
What is the SMILES notation for CID 159428515?
The canonical SMILES for CID 159428515 is CC1CCC(c2ccc(-c3cc[c-]c(F)c3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)c(F)c2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3)cc2F)CC1.CC1CCC(c2ccc(-c3cc[c-]cc3F)cc2)CC1.CC1CCC(c2ccc(CCc3cc[c-]cc3)cc2)CC1.Cc1ccc(-c2ccc(-c3cc[c-]c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)c(F)c2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc[c-]cc3F)cc2)cc1.[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].[Rb][Rb].
What is the InChIKey of CID 159428515?
The InChIKey is NBMWKYGKLHUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H14F.C19H20F.C19H21.C19H15.110Rb/c1-17-7-13-20(14-8-17)21-15-11-19(12-16-21)10-9-18-5-3-2-4-6-18;2*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-3-2-4-19(20)13-18;2*1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2-3-5-19(18)20;2*1-14-7-9-15(10-8-14)17-11-12-18(19(20)13-17)16-5-3-2-4-6-16;1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15;2*1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,11-12,15-17,20H,7-10,13-14H2,1H3;2-3,9-15H,5-8H2,1H3;2-3,5-13H,1H3;2,4-5,10-15H,6-9H2,1H3;2,4-13H,1H3;3-6,11-15H,7-10H2,1H3;3-13H,1H3;3-6,11-14,16H,7-10H2,1H3;3-6,11-15,17H,7-10H2,1H3;3-14H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1.
What are the key properties of CID 159428515?
CID 159428515 has a molecular weight of 12025.04 g/mol, XLogP of -13.75, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159428515 is sourced from PubChem (CID 159428515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).