adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene

C206H210F6O14S — CID 158208145

IUPACadamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.C1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C2)C3.C1C2CC3CC1CC(C2)C3.CC(C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.CC12CC3CC(C)(C1)CC(C14CC5CC(C)(CC(C)(C5)C1)C4)(C3)C2.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C27H18F6O2.C27H24O2.C24H18O4S.C24H18O2.C24H38.C20H30.2C18H14O2.C14H20.C10H16/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;1-27(2,21-13-17-25(18-14-21)28-23-9-5-3-6-10-23)22-15-19-26(20-16-22)29-24-11-7-4-8-12-24;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-19-5-17-6-20(2,11-19)14-23(9-17,13-19)24-10-18-7-21(3,15-24)12-22(4,8-18)16-24;1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-18H;3-20H,1-2H3;1-18H;1-18H;17-18H,5-16H2,1-4H3;13-18H,1-12H2;2*1-14H;7-14H,1-6H2;7-10H,1-6H2
InChIKeyGBSZFMKIMMDZKD-UHFFFAOYSA-N
MW3055.99 g/mol
LogP58.42
Rot. Bonds33

About adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene

adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene (PubChem CID 158208145) has the molecular formula C206H210F6O14S and a molecular weight of 3055.99 g/mol. Its IUPAC name is adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene.

Molecular Properties

Compound Nameadamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
PubChem CID158208145
Molecular FormulaC206H210F6O14S
Molecular Weight3055.99 g/mol
Exact Mass3053.53
IUPAC Nameadamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.C1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C2)C3.C1C2CC3CC1CC(C2)C3.CC(C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.CC12CC3CC(C)(C1)CC(C14CC5CC(C)(CC(C)(C5)C1)C4)(C3)C2.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C27H18F6O2.C27H24O2.C24H18O4S.C24H18O2.C24H38.C20H30.2C18H14O2.C14H20.C10H16/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;1-27(2,21-13-17-25(18-14-21)28-23-9-5-3-6-10-23)22-15-19-26(20-16-22)29-24-11-7-4-8-12-24;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-19-5-17-6-20(2,11-19)14-23(9-17,13-19)24-10-18-7-21(3,15-24)12-22(4,8-18)16-24;1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-18H;3-20H,1-2H3;1-18H;1-18H;17-18H,5-16H2,1-4H3;13-18H,1-12H2;2*1-14H;7-14H,1-6H2;7-10H,1-6H2
InChIKeyGBSZFMKIMMDZKD-UHFFFAOYSA-N
XLogP58.42
TPSA144.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.99
LogP ≤ 558.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene with MolForge

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Related Compounds

1-[4-(Trifluoromethylsulfonyl)phenoxy]-4-[2-[4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]propan-2-yl]benzene
CID 18996468
1-[3-[4-(Trifluoromethyl)phenoxy]phenoxy]-2-[2-[3-[4-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylbenzene
CID 19987051
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
1-Ethenyl-4-[4-[2-[4-[4-[4-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorobenzene
CID 23575469
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
1-(Trifluoromethyl)-3-[3-[4-[4-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]benzene
CID 53855357
2-[3-[4-(1,1,2,2,2-Pentafluoroethylsulfonyl)phenoxy]phenyl]-1-[2-[3-[4-(1,1,2,2,2-pentafluoroethylsulfonyl)phenoxy]phenyl]-3-phenoxyphenoxy]-3-phenoxybenzene
CID 57070145
1-[3-[4-(1,1,2,2,2-Pentafluoroethylsulfonyl)phenoxy]phenyl]-4-[4-[3-[4-(1,1,2,2,2-pentafluoroethylsulfonyl)phenoxy]phenyl]-3-phenoxyphenoxy]-2-phenoxybenzene
CID 57307951
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
1-[4-[4-[2-[4-(4-Ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
CID 57679060
1-[4-[4-[2-[4-[4-(4-Benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57903589

Frequently Asked Questions

What is the IUPAC name of adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The IUPAC name of adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene (CID 158208145) is adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene.
What is the SMILES notation for adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The canonical SMILES for adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene is C1C2CC3C4CC5CC(C14)C(C2)C3C5.C1C2CC3CC1CC(C14CC5CC(CC(C5)C1)C4)(C2)C3.C1C2CC3CC1CC(C2)C3.CC(C)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.CC12CC3CC(C)(C1)CC(C14CC5CC(C)(CC(C)(C5)C1)C4)(C3)C2.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.O=S(=O)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)cc1.c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
The InChIKey is GBSZFMKIMMDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6O2.C27H24O2.C24H18O4S.C24H18O2.C24H38.C20H30.2C18H14O2.C14H20.C10H16/c28-26(29,30)25(27(31,32)33,19-11-15-23(16-12-19)34-21-7-3-1-4-8-21)20-13-17-24(18-14-20)35-22-9-5-2-6-10-22;1-27(2,21-13-17-25(18-14-21)28-23-9-5-3-6-10-23)22-15-19-26(20-16-22)29-24-11-7-4-8-12-24;25-29(26,23-15-11-21(12-16-23)27-19-7-3-1-4-8-19)24-17-13-22(14-18-24)28-20-9-5-2-6-10-20;1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22;1-19-5-17-6-20(2,11-19)14-23(9-17,13-19)24-10-18-7-21(3,15-24)12-22(4,8-18)16-24;1-13-2-15-3-14(1)8-19(7-13,9-15)20-10-16-4-17(11-20)6-18(5-16)12-20;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16;1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-18H;3-20H,1-2H3;1-18H;1-18H;17-18H,5-16H2,1-4H3;13-18H,1-12H2;2*1-14H;7-14H,1-6H2;7-10H,1-6H2.
What are the key properties of adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene?
adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene has a molecular weight of 3055.99 g/mol, XLogP of 58.42, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;1-(1-adamantyl)adamantane;1-(3,5-dimethyl-1-adamantyl)-3,5-dimethyladamantane;1,3-diphenoxybenzene;1,4-diphenoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]-4-phenoxybenzene;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane;1-phenoxy-4-(4-phenoxyphenyl)benzene;1-phenoxy-4-[2-(4-phenoxyphenyl)propan-2-yl]benzene;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene is sourced from PubChem (CID 158208145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).